6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C128H162B2Cl4F4N32O13 — CID 160639304

IUPAC6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCC1(C)OB(c2ccc(N)c(F)c2)OC1(C)C.CCNc1nc(-c2ccc(N)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3ccc(/B=N/C#CO)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(Cl)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(Cl)ccc1C(=O)O.CN(C)c1ccc(CN)cn1.O=C(O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C30H34BFN8O3.C28H35FN8O2.C21H28FN5O.C15H23ClN4O.C12H17BFNO2.C8H9ClN2O2.C8H13N3.C6H3Cl2NO2/c1-2-33-28-23(29(42)34-12-16-40-14-4-3-5-15-40)8-10-25(38-28)22-7-9-26(24(32)18-22)39-30(43)36-20-21-6-11-27(35-19-21)31-37-13-17-41;1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19;1-2-24-20-16(21(28)25-10-13-27-11-4-3-5-12-27)7-9-19(26-20)15-6-8-18(23)17(22)14-15;1-2-17-14-12(6-7-13(16)19-14)15(21)18-8-11-20-9-4-3-5-10-20;1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8;1-2-10-7-5(8(12)13)3-4-6(9)11-7;1-11(2)8-4-3-7(5-9)6-10-8;7-4-2-1-3(6(10)11)5(8)9-4/h6-11,18-19,41H,2-5,12,14-16,20H2,1H3,(H,33,38)(H,34,42)(H2,36,39,43);6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39);6-9,14H,2-5,10-13,23H2,1H3,(H,24,26)(H,25,28);6-7H,2-5,8-11H2,1H3,(H,17,19)(H,18,21);5-7H,15H2,1-4H3;3-4H,2H2,1H3,(H,10,11)(H,12,13);3-4,6H,5,9H2,1-2H3;1-2H,(H,10,11)
InChIKeyRIYPBDJUKRAAKY-UHFFFAOYSA-N
MW2596.34 g/mol
LogP18.65
Rot. Bonds41

About 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 160639304) has the molecular formula C128H162B2Cl4F4N32O13 and a molecular weight of 2596.34 g/mol. Its IUPAC name is 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

Compound Name6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
PubChem CID160639304
Molecular FormulaC128H162B2Cl4F4N32O13
Molecular Weight2596.34 g/mol
Exact Mass2593.19
IUPAC Name6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCC1(C)OB(c2ccc(N)c(F)c2)OC1(C)C.CCNc1nc(-c2ccc(N)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3ccc(/B=N/C#CO)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(Cl)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(Cl)ccc1C(=O)O.CN(C)c1ccc(CN)cn1.O=C(O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C30H34BFN8O3.C28H35FN8O2.C21H28FN5O.C15H23ClN4O.C12H17BFNO2.C8H9ClN2O2.C8H13N3.C6H3Cl2NO2/c1-2-33-28-23(29(42)34-12-16-40-14-4-3-5-15-40)8-10-25(38-28)22-7-9-26(24(32)18-22)39-30(43)36-20-21-6-11-27(35-19-21)31-37-13-17-41;1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19;1-2-24-20-16(21(28)25-10-13-27-11-4-3-5-12-27)7-9-19(26-20)15-6-8-18(23)17(22)14-15;1-2-17-14-12(6-7-13(16)19-14)15(21)18-8-11-20-9-4-3-5-10-20;1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8;1-2-10-7-5(8(12)13)3-4-6(9)11-7;1-11(2)8-4-3-7(5-9)6-10-8;7-4-2-1-3(6(10)11)5(8)9-4/h6-11,18-19,41H,2-5,12,14-16,20H2,1H3,(H,33,38)(H,34,42)(H2,36,39,43);6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39);6-9,14H,2-5,10-13,23H2,1H3,(H,24,26)(H,25,28);6-7H,2-5,8-11H2,1H3,(H,17,19)(H,18,21);5-7H,15H2,1-4H3;3-4H,2H2,1H3,(H,10,11)(H,12,13);3-4,6H,5,9H2,1-2H3;1-2H,(H,10,11)
InChIKeyRIYPBDJUKRAAKY-UHFFFAOYSA-N
XLogP18.65
TPSA620.75 Ų
H-Bond Donors20
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002596.34
LogP ≤ 518.65
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline with MolForge

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;1-ethyl-3,5-bis(trifluoromethyl)benzene;4-iodo-N-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;methanamine;N-methyl-6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxamide;N-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;1-methylpiperazine;(2-methyl-3-pyridinyl)boronic acid;molecular iodine;iodide
CID 157538180
2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
CID 158727356
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxamide;methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate;methyl 6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxylate;6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carbonyl chloride;6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxylic acid;(2-methyl-3-pyridinyl)boronic acid;thionyl dichloride;iodide
CID 158753519
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-2-[2-(3-fluorophenyl)ethylamino]-5-pyridin-2-ylpyridine-3-carboxamide;6-[(5-amino-5-oxopentyl)amino]-2-[2-(3-fluorophenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 69248483
tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-methyl-2-propan-2-ylpyridin-3-amine
CID 157237141
tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine
CID 157390853
7-(2-amino-6-fluorophenyl)-6-chloro-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(4,6-dicyclopropylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2,5,6-trichloro-N-[(4,6-dicyclopropylpyrimidin-5-yl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid
CID 157563142
tert-butyl 4-[5-[2-[5-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(2-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 157640182
Tert-butyl 3-[3-(aminomethyl)-2-pyridinyl]propanoate;tert-butyl 3-[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]propanoate;6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 157847314
8-chloro-3-(2,6-difluorophenyl)imidazo[1,5-a]pyridine;(3-chloro-2-pyridinyl)methanamine;2,6-difluorobenzoic acid;5-[3-(2,6-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;dihydrochloride
CID 157970922
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 157990451
tert-butyl N-[[3-(aminomethyl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]methyl]carbamate;6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 158008323

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The IUPAC name of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 160639304) is 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.
What is the SMILES notation for 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The canonical SMILES for 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CC1(C)OB(c2ccc(N)c(F)c2)OC1(C)C.CCNc1nc(-c2ccc(N)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3ccc(/B=N/C#CO)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(Cl)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(Cl)ccc1C(=O)O.CN(C)c1ccc(CN)cn1.O=C(O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The InChIKey is RIYPBDJUKRAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34BFN8O3.C28H35FN8O2.C21H28FN5O.C15H23ClN4O.C12H17BFNO2.C8H9ClN2O2.C8H13N3.C6H3Cl2NO2/c1-2-33-28-23(29(42)34-12-16-40-14-4-3-5-15-40)8-10-25(38-28)22-7-9-26(24(32)18-22)39-30(43)36-20-21-6-11-27(35-19-21)31-37-13-17-41;1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19;1-2-24-20-16(21(28)25-10-13-27-11-4-3-5-12-27)7-9-19(26-20)15-6-8-18(23)17(22)14-15;1-2-17-14-12(6-7-13(16)19-14)15(21)18-8-11-20-9-4-3-5-10-20;1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8;1-2-10-7-5(8(12)13)3-4-6(9)11-7;1-11(2)8-4-3-7(5-9)6-10-8;7-4-2-1-3(6(10)11)5(8)9-4/h6-11,18-19,41H,2-5,12,14-16,20H2,1H3,(H,33,38)(H,34,42)(H2,36,39,43);6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39);6-9,14H,2-5,10-13,23H2,1H3,(H,24,26)(H,25,28);6-7H,2-5,8-11H2,1H3,(H,17,19)(H,18,21);5-7H,15H2,1-4H3;3-4H,2H2,1H3,(H,10,11)(H,12,13);3-4,6H,5,9H2,1-2H3;1-2H,(H,10,11).
What are the key properties of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2596.34 g/mol, XLogP of 18.65, 41 rotatable bonds, 20 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-(aminomethyl)-N,N-dimethylpyridin-2-amine;6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloro-2-(ethylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;2-(ethylamino)-6-[3-fluoro-4-[[6-(2-hydroxyethynyliminoboranyl)-3-pyridinyl]methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 160639304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).