6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide

C27H19N7O — CID 157042999

IUPAC6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
SMILESN#Cc1ccc2nccc(Nc3cccc(C(=O)Nc4cccc(Nc5ccncc5)c4)n3)c2c1
InChIInChI=1S/C27H19N7O/c28-17-18-7-8-23-22(15-18)24(11-14-30-23)33-26-6-2-5-25(34-26)27(35)32-21-4-1-3-20(16-21)31-19-9-12-29-13-10-19/h1-16H,(H,29,31)(H,32,35)(H,30,33,34)
InChIKeyYEILFGMZGRSMJP-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.64
Rot. Bonds6

About 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide

6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide (PubChem CID 157042999) has the molecular formula C27H19N7O and a molecular weight of 457.50 g/mol. Its IUPAC name is 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
PubChem CID157042999
Molecular FormulaC27H19N7O
Molecular Weight457.50 g/mol
Exact Mass457.17
IUPAC Name6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
SMILESN#Cc1ccc2nccc(Nc3cccc(C(=O)Nc4cccc(Nc5ccncc5)c4)n3)c2c1
InChIInChI=1S/C27H19N7O/c28-17-18-7-8-23-22(15-18)24(11-14-30-23)33-26-6-2-5-25(34-26)27(35)32-21-4-1-3-20(16-21)31-19-9-12-29-13-10-19/h1-16H,(H,29,31)(H,32,35)(H,30,33,34)
InChIKeyYEILFGMZGRSMJP-UHFFFAOYSA-N
XLogP5.64
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036
4-[3-[hydroxy-[3-(pyridin-4-ylamino)anilino]methyl]anilino]quinoline-6-carbonitrile
CID 170018734
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
N-[3-(pyridin-4-ylamino)phenyl]-3-[[6-(3,3,3-trifluoroprop-1-ynyl)quinolin-4-yl]amino]benzamide
CID 157042964
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
N-[3-[[1-(amino-methyl-oxo-λ6-sulfanylidene)azetidin-1-ium-3-yl]amino]phenyl]-3-[(6-cyanoquinolin-4-yl)amino]benzamide
CID 170018733

Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide (CID 157042999) is 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide is N#Cc1ccc2nccc(Nc3cccc(C(=O)Nc4cccc(Nc5ccncc5)c4)n3)c2c1.
What is the InChIKey of 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is YEILFGMZGRSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7O/c28-17-18-7-8-23-22(15-18)24(11-14-30-23)33-26-6-2-5-25(34-26)27(35)32-21-4-1-3-20(16-21)31-19-9-12-29-13-10-19/h1-16H,(H,29,31)(H,32,35)(H,30,33,34).
What are the key properties of 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide?
6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 5.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 157042999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).