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

C14H17N3O2 — CID 53015698

IUPAC2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ccccn2c(=O)c1C(=O)NCC(C)C
InChIInChI=1S/C14H17N3O2/c1-9(2)8-15-13(18)12-10(3)16-11-6-4-5-7-17(11)14(12)19/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyOTDLWZYGFAAJQO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds3

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

2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 53015698) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID53015698
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ccccn2c(=O)c1C(=O)NCC(C)C
InChIInChI=1S/C14H17N3O2/c1-9(2)8-15-13(18)12-10(3)16-11-6-4-5-7-17(11)14(12)19/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyOTDLWZYGFAAJQO-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 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 53015698) is 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ccccn2c(=O)c1C(=O)NCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OTDLWZYGFAAJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)8-15-13(18)12-10(3)16-11-6-4-5-7-17(11)14(12)19/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-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 2-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53015698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).