N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide

C88H83ClF4N22O12 — CID 157240068

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1.NC1CCN(c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCC(N)CC2)nc1.O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])c1ccc(Cl)nc1
InChIInChI=1S/C27H29FN6O5.C22H21FN6O3.C22H23FN6O.C17H10ClFN4O3/c1-27(2,3)39-26(36)30-20-12-14-33(15-13-20)23-11-6-18(16-29-23)25(35)32-24-22(34(37)38)10-9-21(31-24)17-4-7-19(28)8-5-17;23-16-4-1-14(2-5-16)18-6-7-19(29(31)32)21(26-18)27-22(30)15-3-8-20(25-13-15)28-11-9-17(24)10-12-28;23-16-4-1-14(2-5-16)19-7-6-18(25)21(27-19)28-22(30)15-3-8-20(26-13-15)29-11-9-17(24)10-12-29;18-15-8-3-11(9-20-15)17(24)22-16-14(23(25)26)7-6-13(21-16)10-1-4-12(19)5-2-10/h4-11,16,20H,12-15H2,1-3H3,(H,30,36)(H,31,32,35);1-8,13,17H,9-12,24H2,(H,26,27,30);1-8,13,17H,9-12,24-25H2,(H,27,28,30);1-9H,(H,21,22,24)
InChIKeyAVCJBWSCJYCOJO-UHFFFAOYSA-N
MW1752.22 g/mol
LogP15.45
Rot. Bonds19

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 157240068) has the molecular formula C88H83ClF4N22O12 and a molecular weight of 1752.22 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide
PubChem CID157240068
Molecular FormulaC88H83ClF4N22O12
Molecular Weight1752.22 g/mol
Exact Mass1750.62
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1.NC1CCN(c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCC(N)CC2)nc1.O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])c1ccc(Cl)nc1
InChIInChI=1S/C27H29FN6O5.C22H21FN6O3.C22H23FN6O.C17H10ClFN4O3/c1-27(2,3)39-26(36)30-20-12-14-33(15-13-20)23-11-6-18(16-29-23)25(35)32-24-22(34(37)38)10-9-21(31-24)17-4-7-19(28)8-5-17;23-16-4-1-14(2-5-16)18-6-7-19(29(31)32)21(26-18)27-22(30)15-3-8-20(25-13-15)28-11-9-17(24)10-12-28;23-16-4-1-14(2-5-16)19-7-6-18(25)21(27-19)28-22(30)15-3-8-20(26-13-15)29-11-9-17(24)10-12-29;18-15-8-3-11(9-20-15)17(24)22-16-14(23(25)26)7-6-13(21-16)10-1-4-12(19)5-2-10/h4-11,16,20H,12-15H2,1-3H3,(H,30,36)(H,31,32,35);1-8,13,17H,9-12,24H2,(H,26,27,30);1-8,13,17H,9-12,24-25H2,(H,27,28,30);1-9H,(H,21,22,24)
InChIKeyAVCJBWSCJYCOJO-UHFFFAOYSA-N
XLogP15.45
TPSA475.05 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001752.22
LogP ≤ 515.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

[1-[5-[[6-(4-Fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 146525525
tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate
CID 149347688
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 159237465
N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 161124074
N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 161192488
N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 165062088
5-chloro-6-[4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[1-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 11635731
2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[3-[3-amino-6-[4-[[[5-cyano-3-[1-(4-fluorophenyl)ethylcarbamoyl]-2-pyridinyl]amino]methyl]phenyl]pyrazin-2-yl]propyl]carbamate;ethane
CID 144167737
tert-butyl (3S)-4-[6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;tris(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione);3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;methane;phosphane
CID 157254987
N-(3-acetyl-2-pyridinyl)-5-chloro-2-fluorobenzamide;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;4-N-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine;1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-pyrrolo[3,2-c]pyridin-2-one;2-(5-chloro-2-fluorophenyl)-N-(3-nitro-4-pyridinyl)-1,8-naphthyridin-4-amine;4-N-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine
CID 157532239

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide (CID 157240068) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide is CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1.NC1CCN(c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCC(N)CC2)nc1.O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])c1ccc(Cl)nc1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is AVCJBWSCJYCOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O5.C22H21FN6O3.C22H23FN6O.C17H10ClFN4O3/c1-27(2,3)39-26(36)30-20-12-14-33(15-13-20)23-11-6-18(16-29-23)25(35)32-24-22(34(37)38)10-9-21(31-24)17-4-7-19(28)8-5-17;23-16-4-1-14(2-5-16)18-6-7-19(29(31)32)21(26-18)27-22(30)15-3-8-20(25-13-15)28-11-9-17(24)10-12-28;23-16-4-1-14(2-5-16)19-7-6-18(25)21(27-19)28-22(30)15-3-8-20(26-13-15)29-11-9-17(24)10-12-29;18-15-8-3-11(9-20-15)17(24)22-16-14(23(25)26)7-6-13(21-16)10-1-4-12(19)5-2-10/h4-11,16,20H,12-15H2,1-3H3,(H,30,36)(H,31,32,35);1-8,13,17H,9-12,24H2,(H,26,27,30);1-8,13,17H,9-12,24-25H2,(H,27,28,30);1-9H,(H,21,22,24).
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 1752.22 g/mol, XLogP of 15.45, 19 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;6-(4-aminopiperidin-1-yl)-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide;tert-butyl N-[1-[5-[[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate;6-chloro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 157240068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).