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

C12H13N3O2 — CID 15152291

IUPACN-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)N(C)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H13N3O2/c1-3-11(16)14(2)10-8-12(17)15-7-5-4-6-9(15)13-10/h4-8H,3H2,1-2H3
InChIKeyUXOCAYJEHYOBFU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.07
Rot. Bonds2

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

N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide (PubChem CID 15152291) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide
PubChem CID15152291
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)N(C)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H13N3O2/c1-3-11(16)14(2)10-8-12(17)15-7-5-4-6-9(15)13-10/h4-8H,3H2,1-2H3
InChIKeyUXOCAYJEHYOBFU-UHFFFAOYSA-N
XLogP1.07
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135448456
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2H-Pyrido(1,2-a)pyrimidine-2,4(3H)-dione
CID 261420
2-methoxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 638805
5,7-Dimethyl-1,5,7,9-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,4,6-trione
CID 337371
2-Methoxy-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 5325883
1-(2,2-Difluoroethyl)-3-methyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 163287190
4-(Dibutylamino)pyrido[1,2-a]pyrimidin-2-one
CID 435037
2-(Diethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 340742

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide?
The IUPAC name of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide (CID 15152291) is N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide is CCC(=O)N(C)c1cc(=O)n2ccccc2n1.
What is the InChIKey of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide?
The InChIKey is UXOCAYJEHYOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-11(16)14(2)10-8-12(17)15-7-5-4-6-9(15)13-10/h4-8H,3H2,1-2H3.
What are the key properties of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide?
N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide has a molecular weight of 231.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 15152291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).