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

C16H13N3O2 — CID 2233906

IUPAC4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)15(20)18-13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKeyKOSKXFUEOMROEU-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.26
Rot. Bonds2

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

4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 2233906) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID2233906
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)15(20)18-13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKeyKOSKXFUEOMROEU-UHFFFAOYSA-N
XLogP2.26
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 2233906) is 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is Cc1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is KOSKXFUEOMROEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)15(20)18-13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20).
What are the key properties of 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 2233906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).