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

C15H9Cl2N3O2 — CID 51329791

IUPACN-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H9Cl2N3O2/c16-11-5-4-9(7-12(11)17)19-14(21)10-8-18-13-3-1-2-6-20(13)15(10)22/h1-8H,(H,19,21)
InChIKeyYLGGQKDEKUMKHC-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.25
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51329791) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51329791
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC NameN-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H9Cl2N3O2/c16-11-5-4-9(7-12(11)17)19-14(21)10-8-18-13-3-1-2-6-20(13)15(10)22/h1-8H,(H,19,21)
InChIKeyYLGGQKDEKUMKHC-UHFFFAOYSA-N
XLogP3.25
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-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-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60552604
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51098182
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51336186
4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47068259
4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 86929665
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134044102

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51329791) is N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YLGGQKDEKUMKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-11-5-4-9(7-12(11)17)19-14(21)10-8-18-13-3-1-2-6-20(13)15(10)22/h1-8H,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51329791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).