3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide

C28H21N7O — CID 157042727

IUPAC3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
SMILESCc1cc(Nc2ccnc(NC(=O)c3cccc(Nc4ccnc5ccc(C#N)cc45)c3)c2)ccn1
InChIInChI=1S/C28H21N7O/c1-18-13-22(7-10-30-18)33-23-8-11-32-27(16-23)35-28(36)20-3-2-4-21(15-20)34-26-9-12-31-25-6-5-19(17-29)14-24(25)26/h2-16H,1H3,(H,31,34)(H2,30,32,33,35,36)
InChIKeyLSAIORPSKLPVDT-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.94
Rot. Bonds6

About 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide

3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide (PubChem CID 157042727) has the molecular formula C28H21N7O and a molecular weight of 471.52 g/mol. Its IUPAC name is 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
PubChem CID157042727
Molecular FormulaC28H21N7O
Molecular Weight471.52 g/mol
Exact Mass471.18
IUPAC Name3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
SMILESCc1cc(Nc2ccnc(NC(=O)c3cccc(Nc4ccnc5ccc(C#N)cc45)c3)c2)ccn1
InChIInChI=1S/C28H21N7O/c1-18-13-22(7-10-30-18)33-23-8-11-32-27(16-23)35-28(36)20-3-2-4-21(15-20)34-26-9-12-31-25-6-5-19(17-29)14-24(25)26/h2-16H,1H3,(H,31,34)(H2,30,32,33,35,36)
InChIKeyLSAIORPSKLPVDT-UHFFFAOYSA-N
XLogP5.94
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]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

4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
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-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617
N-[3-[[1-(amino-methyl-oxo-λ6-sulfanylidene)azetidin-1-ium-3-yl]amino]phenyl]-3-[(6-cyanoquinolin-4-yl)amino]benzamide
CID 170018733
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-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide (CID 157042727) is 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide is Cc1cc(Nc2ccnc(NC(=O)c3cccc(Nc4ccnc5ccc(C#N)cc45)c3)c2)ccn1.
What is the InChIKey of 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide?
The InChIKey is LSAIORPSKLPVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N7O/c1-18-13-22(7-10-30-18)33-23-8-11-32-27(16-23)35-28(36)20-3-2-4-21(15-20)34-26-9-12-31-25-6-5-19(17-29)14-24(25)26/h2-16H,1H3,(H,31,34)(H2,30,32,33,35,36).
What are the key properties of 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide?
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide has a molecular weight of 471.52 g/mol, XLogP of 5.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 157042727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).