N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O3 — CID 20878719

IUPACN-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C18H17N3O3/c1-12-7-8-16-19-10-14(18(23)21(16)11-12)17(22)20-9-13-5-3-4-6-15(13)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyUCLDXBFHQMIAIO-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.94
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878719) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878719
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C18H17N3O3/c1-12-7-8-16-19-10-14(18(23)21(16)11-12)17(22)20-9-13-5-3-4-6-15(13)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyUCLDXBFHQMIAIO-UHFFFAOYSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878719) is N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccccc1CNC(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UCLDXBFHQMIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-8-16-19-10-14(18(23)21(16)11-12)17(22)20-9-13-5-3-4-6-15(13)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).