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

C16H13N3O3 — CID 3075180

IUPACN-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C16H13N3O3/c1-22-12-7-5-11(6-8-12)18-15(20)13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKeyOBAWZPBSQYASTO-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.96
Rot. Bonds3

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

N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3075180) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3075180
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C16H13N3O3/c1-22-12-7-5-11(6-8-12)18-15(20)13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKeyOBAWZPBSQYASTO-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3075180) is N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OBAWZPBSQYASTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-12-7-5-11(6-8-12)18-15(20)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 N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3075180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).