4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C13H17N3O2 — CID 108800925

IUPAC4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C13H17N3O2/c1-9(2)14-12(18)13(3)8-11(17)15-10-6-4-5-7-16(10)13/h4-7,9H,8H2,1-3H3,(H,14,18)
InChIKeyCFIDYLVXLRMDPP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.98
Rot. Bonds2

About 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108800925) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108800925
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C13H17N3O2/c1-9(2)14-12(18)13(3)8-11(17)15-10-6-4-5-7-16(10)13/h4-7,9H,8H2,1-3H3,(H,14,18)
InChIKeyCFIDYLVXLRMDPP-UHFFFAOYSA-N
XLogP0.98
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108800925) is 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC(C)NC(=O)C1(C)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is CFIDYLVXLRMDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)14-12(18)13(3)8-11(17)15-10-6-4-5-7-16(10)13/h4-7,9H,8H2,1-3H3,(H,14,18).
What are the key properties of 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-propan-2-yl-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108800925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).