N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide

C28H20N6O — CID 157044000

IUPACN-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
SMILESN#Cc1ccc2nccc(Nc3ccc(NC(=O)c4ccc(Nc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C28H20N6O/c29-18-19-1-10-26-25(17-19)27(13-16-31-26)33-22-6-8-23(9-7-22)34-28(35)20-2-4-21(5-3-20)32-24-11-14-30-15-12-24/h1-17H,(H,30,32)(H,31,33)(H,34,35)
InChIKeyZOAHBVSLYDYQRF-UHFFFAOYSA-N
MW456.51 g/mol
LogP6.24
Rot. Bonds6

About N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide

N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide (PubChem CID 157044000) has the molecular formula C28H20N6O and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
PubChem CID157044000
Molecular FormulaC28H20N6O
Molecular Weight456.51 g/mol
Exact Mass456.17
IUPAC NameN-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
SMILESN#Cc1ccc2nccc(Nc3ccc(NC(=O)c4ccc(Nc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C28H20N6O/c29-18-19-1-10-26-25(17-19)27(13-16-31-26)33-22-6-8-23(9-7-22)34-28(35)20-2-4-21(5-3-20)32-24-11-14-30-15-12-24/h1-17H,(H,30,32)(H,31,33)(H,34,35)
InChIKeyZOAHBVSLYDYQRF-UHFFFAOYSA-N
XLogP6.24
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide with MolForge

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Related Compounds

4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
4-[(7-cyanoisoquinolin-1-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 157044061
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157042999
ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
CID 157043861
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
N-[4-[[3-[(amino-methyl-oxo-λ6-sulfanylidene)amino]cyclobutyl]amino]phenyl]-4-[(6-cyanoquinolin-4-yl)amino]benzamide
CID 157044194
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
The IUPAC name of N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide (CID 157044000) is N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide.
What is the SMILES notation for N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
The canonical SMILES for N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide is N#Cc1ccc2nccc(Nc3ccc(NC(=O)c4ccc(Nc5ccncc5)cc4)cc3)c2c1.
What is the InChIKey of N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
The InChIKey is ZOAHBVSLYDYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6O/c29-18-19-1-10-26-25(17-19)27(13-16-31-26)33-22-6-8-23(9-7-22)34-28(35)20-2-4-21(5-3-20)32-24-11-14-30-15-12-24/h1-17H,(H,30,32)(H,31,33)(H,34,35).
What are the key properties of N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide has a molecular weight of 456.51 g/mol, XLogP of 6.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide is sourced from PubChem (CID 157044000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).