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

C15H9Cl2N3O2 — CID 2369608

IUPAC2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnc2ccccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O2/c16-9-4-5-10(11(17)7-9)14(21)19-12-8-18-13-3-1-2-6-20(13)15(12)22/h1-8H,(H,19,21)
InChIKeyQAVGTRBXXPHVKZ-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.25
Rot. Bonds2

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

2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 2369608) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID2369608
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnc2ccccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O2/c16-9-4-5-10(11(17)7-9)14(21)19-12-8-18-13-3-1-2-6-20(13)15(12)22/h1-8H,(H,19,21)
InChIKeyQAVGTRBXXPHVKZ-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

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Related Compounds

4-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3554910
2-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 4261504
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
2-chloro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380034
2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380036
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3558437
2,4-dichloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3772253
4-chloro-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2238613
2,6-dichloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3679261
2-Chloro-N-{2-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}benzamide
CID 16030261
2-chloro-N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-fluorobenzamide
CID 16835745
2-chloro-N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-fluorobenzamide
CID 18566140

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 2369608) is 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is O=C(Nc1cnc2ccccn2c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is QAVGTRBXXPHVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-9-4-5-10(11(17)7-9)14(21)19-12-8-18-13-3-1-2-6-20(13)15(12)22/h1-8H,(H,19,21).
What are the key properties of 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide 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 2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 2369608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).