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

C15H10ClN3O2 — CID 4572245

IUPACN-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H10ClN3O2/c16-11-5-1-2-6-12(11)18-14(20)10-9-17-13-7-3-4-8-19(13)15(10)21/h1-9H,(H,18,20)
InChIKeyQIMLVGPJQZKNMW-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.60
Rot. Bonds2

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

N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4572245) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4572245
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H10ClN3O2/c16-11-5-1-2-6-12(11)18-14(20)10-9-17-13-7-3-4-8-19(13)15(10)21/h1-9H,(H,18,20)
InChIKeyQIMLVGPJQZKNMW-UHFFFAOYSA-N
XLogP2.60
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60552604
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
N-(2-chlorophenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137278968
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 4572245) is N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QIMLVGPJQZKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-1-2-6-12(11)18-14(20)10-9-17-13-7-3-4-8-19(13)15(10)21/h1-9H,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4572245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).