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

C23H18N4O2 — CID 32636581

IUPACN-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O2/c24-22(28)17-5-3-4-15(12-17)14-26-23(29)19-13-21(16-8-10-25-11-9-16)27-20-7-2-1-6-18(19)20/h1-13H,14H2,(H2,24,28)(H,26,29)
InChIKeyJWRQDWUOSVWFBE-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.33
Rot. Bonds5

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

N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 32636581) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID32636581
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O2/c24-22(28)17-5-3-4-15(12-17)14-26-23(29)19-13-21(16-8-10-25-11-9-16)27-20-7-2-1-6-18(19)20/h1-13H,14H2,(H2,24,28)(H,26,29)
InChIKeyJWRQDWUOSVWFBE-UHFFFAOYSA-N
XLogP3.33
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-carbamoylphenyl)methyl]-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-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
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
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 32636581) is N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is NC(=O)c1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JWRQDWUOSVWFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-22(28)17-5-3-4-15(12-17)14-26-23(29)19-13-21(16-8-10-25-11-9-16)27-20-7-2-1-6-18(19)20/h1-13H,14H2,(H2,24,28)(H,26,29).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 32636581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).