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

C14H17N3O2 — CID 20878712

IUPAC7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(C)C)c(=O)n2c1
InChIInChI=1S/C14H17N3O2/c1-9(2)6-16-13(18)11-7-15-12-5-4-10(3)8-17(12)14(11)19/h4-5,7-9H,6H2,1-3H3,(H,16,18)
InChIKeyQWTVMDIFSDHQLG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds3

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

7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878712) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878712
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(C)C)c(=O)n2c1
InChIInChI=1S/C14H17N3O2/c1-9(2)6-16-13(18)11-7-15-12-5-4-10(3)8-17(12)14(11)19/h4-5,7-9H,6H2,1-3H3,(H,16,18)
InChIKeyQWTVMDIFSDHQLG-UHFFFAOYSA-N
XLogP1.39
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878712) is 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NCC(C)C)c(=O)n2c1.
What is the InChIKey of 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QWTVMDIFSDHQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)6-16-13(18)11-7-15-12-5-4-10(3)8-17(12)14(11)19/h4-5,7-9H,6H2,1-3H3,(H,16,18).
What are the key properties of 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).