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

C13H15N3O2 — CID 18566117

IUPAC2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C(C)C
InChIInChI=1S/C13H15N3O2/c1-8(2)12(17)15-11-9(3)14-10-6-4-5-7-16(10)13(11)18/h4-8H,1-3H3,(H,15,17)
InChIKeySFRZGMHJYFJYSP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.60
Rot. Bonds2

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

2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (PubChem CID 18566117) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
PubChem CID18566117
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C(C)C
InChIInChI=1S/C13H15N3O2/c1-8(2)12(17)15-11-9(3)14-10-6-4-5-7-16(10)13(11)18/h4-8H,1-3H3,(H,15,17)
InChIKeySFRZGMHJYFJYSP-UHFFFAOYSA-N
XLogP1.60
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.60
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-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (CID 18566117) is 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is Cc1nc2ccccn2c(=O)c1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The InChIKey is SFRZGMHJYFJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)12(17)15-11-9(3)14-10-6-4-5-7-16(10)13(11)18/h4-8H,1-3H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide has a molecular weight of 245.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 18566117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).