N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide

C22H17N3O — CID 757748

IUPACN-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H17N3O/c26-22(24-15-16-6-2-1-3-7-16)19-14-21(17-10-12-23-13-11-17)25-20-9-5-4-8-18(19)20/h1-14H,15H2,(H,24,26)
InChIKeyKGXWMGRXYIAMAJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.23
Rot. Bonds4

About N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 757748) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID757748
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H17N3O/c26-22(24-15-16-6-2-1-3-7-16)19-14-21(17-10-12-23-13-11-17)25-20-9-5-4-8-18(19)20/h1-14H,15H2,(H,24,26)
InChIKeyKGXWMGRXYIAMAJ-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide 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-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 757748) is N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is KGXWMGRXYIAMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22(24-15-16-6-2-1-3-7-16)19-14-21(17-10-12-23-13-11-17)25-20-9-5-4-8-18(19)20/h1-14H,15H2,(H,24,26).
What are the key properties of N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 757748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).