N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H12N4O3 — CID 24675352

IUPACN-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C16H12N4O3/c17-14(21)10-4-3-5-11(8-10)19-15(22)12-9-18-13-6-1-2-7-20(13)16(12)23/h1-9H,(H2,17,21)(H,19,22)
InChIKeyWKJHQRRLLMOAJP-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.05
Rot. Bonds3

About N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 24675352) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID24675352
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C16H12N4O3/c17-14(21)10-4-3-5-11(8-10)19-15(22)12-9-18-13-6-1-2-7-20(13)16(12)23/h1-9H,(H2,17,21)(H,19,22)
InChIKeyWKJHQRRLLMOAJP-UHFFFAOYSA-N
XLogP1.05
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47068259
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134044102
propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
CID 51329815
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51098182
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
(3-acetylphenyl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 86916716
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 24675352) is N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is NC(=O)c1cccc(NC(=O)c2cnc3ccccn3c2=O)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WKJHQRRLLMOAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-14(21)10-4-3-5-11(8-10)19-15(22)12-9-18-13-6-1-2-7-20(13)16(12)23/h1-9H,(H2,17,21)(H,19,22).
What are the key properties of N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24675352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).