N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide

C24H18N4O — CID 39858915

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H18N4O/c1-28(16-18-10-8-17(14-25)9-11-18)24(29)21-13-23(19-5-4-12-26-15-19)27-22-7-3-2-6-20(21)22/h2-13,15H,16H2,1H3
InChIKeyWDFQIVUBBNNKDJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.44
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide

N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 39858915) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID39858915
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H18N4O/c1-28(16-18-10-8-17(14-25)9-11-18)24(29)21-13-23(19-5-4-12-26-15-19)27-22-7-3-2-6-20(21)22/h2-13,15H,16H2,1H3
InChIKeyWDFQIVUBBNNKDJ-UHFFFAOYSA-N
XLogP4.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
CID 140502967
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39861575
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 78800017
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 155968260

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 39858915) is N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is WDFQIVUBBNNKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-28(16-18-10-8-17(14-25)9-11-18)24(29)21-13-23(19-5-4-12-26-15-19)27-22-7-3-2-6-20(21)22/h2-13,15H,16H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 39858915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).