4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

C15H10ClN3O2 — CID 2238613

IUPAC4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnc2ccccn2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-4-10(5-7-11)14(20)18-12-9-17-13-3-1-2-8-19(13)15(12)21/h1-9H,(H,18,20)
InChIKeyOXPDWUIMEQNLBE-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 2238613) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID2238613
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnc2ccccn2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-4-10(5-7-11)14(20)18-12-9-17-13-3-1-2-8-19(13)15(12)21/h1-9H,(H,18,20)
InChIKeyOXPDWUIMEQNLBE-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

3-[(4-Chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 12527417
2-(4-Chlorophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10563061
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2369608
2-chloro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380034
N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide
CID 135512179
2,6-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030255
3,4-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030257
2-methyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030247
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-(trifluoromethyl)benzamide
CID 16030259

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 2238613) is 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is O=C(Nc1cnc2ccccn2c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is OXPDWUIMEQNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-6-4-10(5-7-11)14(20)18-12-9-17-13-3-1-2-8-19(13)15(12)21/h1-9H,(H,18,20).
What are the key properties of 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide 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 4-chloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 2238613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).