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

C13H15N3O2 — CID 15152293

IUPACN-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)N(C)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-3-6-12(17)15(2)11-9-13(18)16-8-5-4-7-10(16)14-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyWOSXPHCNVCEWDX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.46
Rot. Bonds3

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

N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide (PubChem CID 15152293) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide
PubChem CID15152293
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)N(C)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-3-6-12(17)15(2)11-9-13(18)16-8-5-4-7-10(16)14-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyWOSXPHCNVCEWDX-UHFFFAOYSA-N
XLogP1.46
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.46
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
3-Ethyl-4-hydroxypyrido[1,2-a]pyrimidin-2-one
CID 135419040
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
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
4-(Dibutylamino)pyrido[1,2-a]pyrimidin-2-one
CID 435037
2-(Diethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 340742
2-Pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 12843617
2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 139215767
6-Butyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-2,5-dione
CID 146161889
4-(Dipropylamino)pyrido[1,2-a]pyrimidin-2-one
CID 338875
1,3-Dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 10774027
2-(Dimethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12843613

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide?
The IUPAC name of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide (CID 15152293) is N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide.
What is the SMILES notation for N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide?
The canonical SMILES for N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide is CCCC(=O)N(C)c1cc(=O)n2ccccc2n1.
What is the InChIKey of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide?
The InChIKey is WOSXPHCNVCEWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-6-12(17)15(2)11-9-13(18)16-8-5-4-7-10(16)14-11/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide?
N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide has a molecular weight of 245.28 g/mol, XLogP of 1.46, 3 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)butanamide is sourced from PubChem (CID 15152293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).