N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H23N3O2 — CID 51335133

IUPACN-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-3-5-8-13(4-2)11-19-16(21)14-12-18-15-9-6-7-10-20(15)17(14)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,21)
InChIKeyFXRPBCQXAJDKIJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds7

About N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51335133) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51335133
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-3-5-8-13(4-2)11-19-16(21)14-12-18-15-9-6-7-10-20(15)17(14)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,21)
InChIKeyFXRPBCQXAJDKIJ-UHFFFAOYSA-N
XLogP2.64
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-9-methyl-4-oxo-
CID 3079303
N-[3-(3,5-dimethylpiperidino)propyl]-4-hydroxy-2-keto-9-methyl-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853274
2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853278
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853285
2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853273
2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853283
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-
CID 3079277
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-hexyl-6-methyl-4-oxo-
CID 3079279
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-
CID 3079280
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-octyl-4-oxo-
CID 3079281
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-
CID 3079284

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51335133) is N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCC(CC)CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FXRPBCQXAJDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-5-8-13(4-2)11-19-16(21)14-12-18-15-9-6-7-10-20(15)17(14)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51335133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).