4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate

C90H98N26O12 — CID 158083973

IUPAC4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
SMILESCCNC(=O)Nc1cc(Nc2cccc(C(=O)OC)c2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(=O)n(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N(C)C)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N3CCC(O)CC3)nc2)cn1
InChIInChI=1S/C25H29N7O3.C22H25N7O2.C22H22N6O4.C21H22N6O3/c1-2-26-25(35)31-22-14-21(29-17-6-4-3-5-7-17)20(16-27-22)24(34)30-18-8-9-23(28-15-18)32-12-10-19(33)11-13-32;1-4-23-22(31)28-19-12-18(26-15-8-6-5-7-9-15)17(14-24-19)21(30)27-16-10-11-20(25-13-16)29(2)3;1-3-24-22(31)28-19-11-18(26-15-7-4-6-14(10-15)21(30)32-2)17(13-25-19)20(29)27-16-8-5-9-23-12-16;1-3-22-21(30)26-18-11-17(24-14-7-5-4-6-8-14)16(12-23-18)20(29)25-15-9-10-19(28)27(2)13-15/h3-9,14-16,19,33H,2,10-13H2,1H3,(H,30,34)(H3,26,27,29,31,35);5-14H,4H2,1-3H3,(H,27,30)(H3,23,24,26,28,31);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,31);4-13H,3H2,1-2H3,(H,25,29)(H3,22,23,24,26,30)
InChIKeyFNHFNZAKBXXNEX-UHFFFAOYSA-N
MW1735.94 g/mol
LogP13.57
Rot. Bonds27

About 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate

4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate (PubChem CID 158083973) has the molecular formula C90H98N26O12 and a molecular weight of 1735.94 g/mol. Its IUPAC name is 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Name4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
PubChem CID158083973
Molecular FormulaC90H98N26O12
Molecular Weight1735.94 g/mol
Exact Mass1734.79
IUPAC Name4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
SMILESCCNC(=O)Nc1cc(Nc2cccc(C(=O)OC)c2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(=O)n(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N(C)C)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N3CCC(O)CC3)nc2)cn1
InChIInChI=1S/C25H29N7O3.C22H25N7O2.C22H22N6O4.C21H22N6O3/c1-2-26-25(35)31-22-14-21(29-17-6-4-3-5-7-17)20(16-27-22)24(34)30-18-8-9-23(28-15-18)32-12-10-19(33)11-13-32;1-4-23-22(31)28-19-12-18(26-15-8-6-5-7-9-15)17(14-24-19)21(30)27-16-10-11-20(25-13-16)29(2)3;1-3-24-22(31)28-19-11-18(26-15-7-4-6-14(10-15)21(30)32-2)17(13-25-19)20(29)27-16-8-5-9-23-12-16;1-3-22-21(30)26-18-11-17(24-14-7-5-4-6-8-14)16(12-23-18)20(29)25-15-9-10-19(28)27(2)13-15/h3-9,14-16,19,33H,2,10-13H2,1H3,(H,30,34)(H3,26,27,29,31,35);5-14H,4H2,1-3H3,(H,27,30)(H3,23,24,26,28,31);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,31);4-13H,3H2,1-2H3,(H,25,29)(H3,22,23,24,26,30)
InChIKeyFNHFNZAKBXXNEX-UHFFFAOYSA-N
XLogP13.57
TPSA494.28 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001735.94
LogP ≤ 513.57
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Analyze 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate with MolForge

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Related Compounds

9-(6-Amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-[6-(hydroxymethyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 157504771
4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-[4-(2-ethylbutyl)piperazin-1-yl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-[4-(3-methylbutyl)piperazin-1-yl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;methyl 4-[[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]benzoate;4-methyl-6-(4-methylpiperazin-1-yl)-N-[[4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 157751311
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
(E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoic acid;6-(ethylcarbamoylamino)-4-(4-fluoroanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(4-methylanilino)-N-pyridin-3-ylpyridine-3-carboxamide;3-[4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]phenyl]propanoic acid;6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 160313588
2-Aminopyridine-3-carboxylic acid;2-(1-bromoethyl)-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethyl-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethylpyrido[2,3-d][1,3]oxazin-4-one;3-(4-fluorophenyl)-2-[1-(methylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;1-[1-[3-(4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 160981598
methyl 3-fluoro-4-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzoate
CID 164882465
Tert-butyl 4-[4-[4-[(4-methoxycarbonylbenzoyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66836332
Tert-butyl 4-[4-[4-[(5-methoxycarbonylpyridine-3-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66836350
4-[4-[4-[[2-(4-Methoxycarbonylphenyl)acetyl]amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836439
4-[4-[4-[(5-Methoxycarbonylpyridine-3-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836619
4-[4-[4-[(6-Methoxycarbonylpyridine-3-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836650
4-[4-[4-[(4-Methoxycarbonylbenzoyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836671

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
The IUPAC name of 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate (CID 158083973) is 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate.
What is the SMILES notation for 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
The canonical SMILES for 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate is CCNC(=O)Nc1cc(Nc2cccc(C(=O)OC)c2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(=O)n(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N(C)C)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N3CCC(O)CC3)nc2)cn1.
What is the InChIKey of 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
The InChIKey is FNHFNZAKBXXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3.C22H25N7O2.C22H22N6O4.C21H22N6O3/c1-2-26-25(35)31-22-14-21(29-17-6-4-3-5-7-17)20(16-27-22)24(34)30-18-8-9-23(28-15-18)32-12-10-19(33)11-13-32;1-4-23-22(31)28-19-12-18(26-15-8-6-5-7-9-15)17(14-24-19)21(30)27-16-10-11-20(25-13-16)29(2)3;1-3-24-22(31)28-19-11-18(26-15-7-4-6-14(10-15)21(30)32-2)17(13-25-19)20(29)27-16-8-5-9-23-12-16;1-3-22-21(30)26-18-11-17(24-14-7-5-4-6-8-14)16(12-23-18)20(29)25-15-9-10-19(28)27(2)13-15/h3-9,14-16,19,33H,2,10-13H2,1H3,(H,30,34)(H3,26,27,29,31,35);5-14H,4H2,1-3H3,(H,27,30)(H3,23,24,26,28,31);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,31);4-13H,3H2,1-2H3,(H,25,29)(H3,22,23,24,26,30).
What are the key properties of 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate has a molecular weight of 1735.94 g/mol, XLogP of 13.57, 27 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-[6-(dimethylamino)-3-pyridinyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide;methyl 3-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 158083973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).