6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid

C113H87FN20O9 — CID 157163093

IUPAC6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C29H23N5O3.C29H23N5O2.C28H21N5O3.C27H20FN5O/c1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)34-27-9-5-22(18-32-27)28(35)33-23-6-2-19(3-7-23)16-20-10-13-30-14-11-20;1-19(35)22-4-8-26-25(17-22)27(12-15-31-26)34-28-9-5-23(18-32-28)29(36)33-24-6-2-20(3-7-24)16-21-10-13-30-14-11-21;34-27(32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19)21-4-8-26(31-17-21)33-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25;28-21-4-7-24-23(16-21)25(11-14-30-24)33-26-8-3-20(17-31-26)27(34)32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19/h2-15,17-18H,16H2,1H3,(H,33,35)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,33,36)(H,31,32,34);1-14,16-17H,15H2,(H,32,34)(H,35,36)(H,30,31,33);1-14,16-17H,15H2,(H,32,34)(H,30,31,33)
InChIKeyAMPDHKWHPMMEJS-UHFFFAOYSA-N
MW1888.07 g/mol
LogP22.27
Rot. Bonds27

About 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid

6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (PubChem CID 157163093) has the molecular formula C113H87FN20O9 and a molecular weight of 1888.07 g/mol. Its IUPAC name is 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
PubChem CID157163093
Molecular FormulaC113H87FN20O9
Molecular Weight1888.07 g/mol
Exact Mass1886.69
IUPAC Name6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C29H23N5O3.C29H23N5O2.C28H21N5O3.C27H20FN5O/c1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)34-27-9-5-22(18-32-27)28(35)33-23-6-2-19(3-7-23)16-20-10-13-30-14-11-20;1-19(35)22-4-8-26-25(17-22)27(12-15-31-26)34-28-9-5-23(18-32-28)29(36)33-24-6-2-20(3-7-24)16-21-10-13-30-14-11-21;34-27(32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19)21-4-8-26(31-17-21)33-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25;28-21-4-7-24-23(16-21)25(11-14-30-24)33-26-8-3-20(17-31-26)27(34)32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19/h2-15,17-18H,16H2,1H3,(H,33,35)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,33,36)(H,31,32,34);1-14,16-17H,15H2,(H,32,34)(H,35,36)(H,30,31,33);1-14,16-17H,15H2,(H,32,34)(H,30,31,33)
InChIKeyAMPDHKWHPMMEJS-UHFFFAOYSA-N
XLogP22.27
TPSA399.87 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001888.07
LogP ≤ 522.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid with MolForge

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
CID 118400863
Methyl 2-acetylamino-5-(6-(4-fluorophenyl)-2-(pyridin-3-yl)pyrimidin-4-yl)benzoate
CID 137333644
4-[4-[4-(4-Methoxycarbonylanilino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836486
2-[[2-[4-(Trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-6-carboxylic acid
CID 69524535
Methyl 4-(5-fluoropyridin-2-ylamino)-2-(pyridin-3-yl)quinazoline-8-carboxylate
CID 71151496
ethyl 4-[[6-[(E)-3-[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]prop-1-enyl]quinazolin-2-yl]amino]benzoate
CID 89109308
[(S)-phenyl-[[2-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-6-carbonyl]amino]methyl] acetate
CID 152534888
methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate
CID 156830044
6-[[(2-Amino-3-methylquinoline-6-carbonyl)-[(3-fluoro-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylic acid
CID 156830092
Methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(3-fluoro-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate
CID 156830293
3-[[6-Fluoro-1-[3-[4-[(6-fluoroquinolin-4-yl)amino]-2-[[6-(pyridin-4-ylamino)-2-pyridinyl]carbamoyl]phenyl]-2-methylpropyl]quinolin-1-ium-4-yl]amino]benzoic acid
CID 157042756
N-(2-aminophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzamide;tert-butyl 4-fluorobenzoate;tert-butyl 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzoate;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzoic acid
CID 157698166

Frequently Asked Questions

What is the IUPAC name of 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The IUPAC name of 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (CID 157163093) is 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid.
What is the SMILES notation for 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The canonical SMILES for 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid is CC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.
What is the InChIKey of 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The InChIKey is AMPDHKWHPMMEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3.C29H23N5O2.C28H21N5O3.C27H20FN5O/c1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)34-27-9-5-22(18-32-27)28(35)33-23-6-2-19(3-7-23)16-20-10-13-30-14-11-20;1-19(35)22-4-8-26-25(17-22)27(12-15-31-26)34-28-9-5-23(18-32-28)29(36)33-24-6-2-20(3-7-24)16-21-10-13-30-14-11-21;34-27(32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19)21-4-8-26(31-17-21)33-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25;28-21-4-7-24-23(16-21)25(11-14-30-24)33-26-8-3-20(17-31-26)27(34)32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19/h2-15,17-18H,16H2,1H3,(H,33,35)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,33,36)(H,31,32,34);1-14,16-17H,15H2,(H,32,34)(H,35,36)(H,30,31,33);1-14,16-17H,15H2,(H,32,34)(H,30,31,33).
What are the key properties of 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid has a molecular weight of 1888.07 g/mol, XLogP of 22.27, 27 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 157163093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).