4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide

C29H22N6O — CID 157043367

IUPAC4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(Nc3ccncc3)c2)ccc1Nc1ccnc2ccc(C#N)cc12
InChIInChI=1S/C29H22N6O/c1-19-15-21(29(36)34-24-4-2-3-23(17-24)33-22-9-12-31-13-10-22)6-8-26(19)35-28-11-14-32-27-7-5-20(18-30)16-25(27)28/h2-17H,1H3,(H,31,33)(H,32,35)(H,34,36)
InChIKeyMAZBSGZTWSSDSX-UHFFFAOYSA-N
MW470.54 g/mol
LogP6.55
Rot. Bonds6

About 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide

4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide (PubChem CID 157043367) has the molecular formula C29H22N6O and a molecular weight of 470.54 g/mol. Its IUPAC name is 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
PubChem CID157043367
Molecular FormulaC29H22N6O
Molecular Weight470.54 g/mol
Exact Mass470.19
IUPAC Name4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(Nc3ccncc3)c2)ccc1Nc1ccnc2ccc(C#N)cc12
InChIInChI=1S/C29H22N6O/c1-19-15-21(29(36)34-24-4-2-3-23(17-24)33-22-9-12-31-13-10-22)6-8-26(19)35-28-11-14-32-27-7-5-20(18-30)16-25(27)28/h2-17H,1H3,(H,31,33)(H,32,35)(H,34,36)
InChIKeyMAZBSGZTWSSDSX-UHFFFAOYSA-N
XLogP6.55
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157042999
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
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225894
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
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]-3-methyl-N-[4-[[(E)-1-methyliminopent-2-en-3-yl]amino]phenyl]benzamide
CID 157044103
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The IUPAC name of 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide (CID 157043367) is 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The canonical SMILES for 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide is Cc1cc(C(=O)Nc2cccc(Nc3ccncc3)c2)ccc1Nc1ccnc2ccc(C#N)cc12.
What is the InChIKey of 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The InChIKey is MAZBSGZTWSSDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O/c1-19-15-21(29(36)34-24-4-2-3-23(17-24)33-22-9-12-31-13-10-22)6-8-26(19)35-28-11-14-32-27-7-5-20(18-30)16-25(27)28/h2-17H,1H3,(H,31,33)(H,32,35)(H,34,36).
What are the key properties of 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide has a molecular weight of 470.54 g/mol, XLogP of 6.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 157043367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).