9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C15H17N3O3 — CID 53009364

IUPAC9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC3CCCO3)cnc12
InChIInChI=1S/C15H17N3O3/c1-10-4-2-6-18-13(10)16-9-12(15(18)20)14(19)17-8-11-5-3-7-21-11/h2,4,6,9,11H,3,5,7-8H2,1H3,(H,17,19)
InChIKeyBEPOCHBMYCJNHA-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.91
Rot. Bonds3

About 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 53009364) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID53009364
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC3CCCO3)cnc12
InChIInChI=1S/C15H17N3O3/c1-10-4-2-6-18-13(10)16-9-12(15(18)20)14(19)17-8-11-5-3-7-21-11/h2,4,6,9,11H,3,5,7-8H2,1H3,(H,17,19)
InChIKeyBEPOCHBMYCJNHA-UHFFFAOYSA-N
XLogP0.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 53009364) is 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCC3CCCO3)cnc12.
What is the InChIKey of 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BEPOCHBMYCJNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-2-6-18-13(10)16-9-12(15(18)20)14(19)17-8-11-5-3-7-21-11/h2,4,6,9,11H,3,5,7-8H2,1H3,(H,17,19).
What are the key properties of 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53009364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).