N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide

C13H13N3O2 — CID 7217002

IUPACN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C1CC1
InChIInChI=1S/C13H13N3O2/c1-8-11(15-12(17)9-5-6-9)13(18)16-7-3-2-4-10(16)14-8/h2-4,7,9H,5-6H2,1H3,(H,15,17)
InChIKeyBFHNZXWAGHVNMW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.35
Rot. Bonds2

About N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide

N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide (PubChem CID 7217002) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide
PubChem CID7217002
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C1CC1
InChIInChI=1S/C13H13N3O2/c1-8-11(15-12(17)9-5-6-9)13(18)16-7-3-2-4-10(16)14-8/h2-4,7,9H,5-6H2,1H3,(H,15,17)
InChIKeyBFHNZXWAGHVNMW-UHFFFAOYSA-N
XLogP1.35
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide (CID 7217002) is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide is Cc1nc2ccccn2c(=O)c1NC(=O)C1CC1.
What is the InChIKey of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide?
The InChIKey is BFHNZXWAGHVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-11(15-12(17)9-5-6-9)13(18)16-7-3-2-4-10(16)14-8/h2-4,7,9H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide?
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 7217002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).