6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H25N3O2 — CID 3079281

IUPAC6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C18H25N3O2/c1-3-4-5-6-7-8-12-19-17(22)15-13-20-16-11-9-10-14(2)21(16)18(15)23/h9-11,13H,3-8,12H2,1-2H3,(H,19,22)
InChIKeyGITXJJGLSZCFIR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.09
Rot. Bonds8

About 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079281) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079281
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C18H25N3O2/c1-3-4-5-6-7-8-12-19-17(22)15-13-20-16-11-9-10-14(2)21(16)18(15)23/h9-11,13H,3-8,12H2,1-2H3,(H,19,22)
InChIKeyGITXJJGLSZCFIR-UHFFFAOYSA-N
XLogP3.09
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681047
N-cyclohexyl-2-hydroxy-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680959
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-9-methyl-4-oxo-
CID 3079303
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458477
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458497
N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135616971
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-
CID 3079276

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079281) is 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GITXJJGLSZCFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-4-5-6-7-8-12-19-17(22)15-13-20-16-11-9-10-14(2)21(16)18(15)23/h9-11,13H,3-8,12H2,1-2H3,(H,19,22).
What are the key properties of 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).