N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide

C19H15N5O2 — CID 154794418

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCc1cccnc1-n1ccnc1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H15N5O2/c25-17-10-16(23-15-6-2-1-5-14(15)17)19(26)22-11-13-4-3-7-21-18(13)24-9-8-20-12-24/h1-10,12H,11H2,(H,22,26)(H,23,25)
InChIKeyNULZRNINBJJWCA-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.04
Rot. Bonds4

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 154794418) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID154794418
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCc1cccnc1-n1ccnc1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H15N5O2/c25-17-10-16(23-15-6-2-1-5-14(15)17)19(26)22-11-13-4-3-7-21-18(13)24-9-8-20-12-24/h1-10,12H,11H2,(H,22,26)(H,23,25)
InChIKeyNULZRNINBJJWCA-UHFFFAOYSA-N
XLogP2.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-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-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 56812625
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 37185608
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
CID 56754198
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 56711373
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 37192727
6-bromo-4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
CID 99807558
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 37194009
2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 71936589
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 42512706
4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 51091615

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide (CID 154794418) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide is O=C(NCc1cccnc1-n1ccnc1)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is NULZRNINBJJWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-17-10-16(23-15-6-2-1-5-14(15)17)19(26)22-11-13-4-3-7-21-18(13)24-9-8-20-12-24/h1-10,12H,11H2,(H,22,26)(H,23,25).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 154794418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).