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

C18H17N3O2 — CID 20878727

IUPACN-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-3-13-5-7-14(8-6-13)20-17(22)15-10-19-16-9-4-12(2)11-21(16)18(15)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyYNQWLASTDRBLKY-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.82
Rot. Bonds3

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

N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878727) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878727
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-3-13-5-7-14(8-6-13)20-17(22)15-10-19-16-9-4-12(2)11-21(16)18(15)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyYNQWLASTDRBLKY-UHFFFAOYSA-N
XLogP2.82
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878727) is N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCc1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YNQWLASTDRBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-13-5-7-14(8-6-13)20-17(22)15-10-19-16-9-4-12(2)11-21(16)18(15)23/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).