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

C14H17N3O2 — CID 3079275

IUPACN-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-4-8-15-13(18)11-9-16-12-7-5-6-10(2)17(12)14(11)19/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyZPTKUQNZPPBLPH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.53
Rot. Bonds4

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

N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079275) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079275
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-4-8-15-13(18)11-9-16-12-7-5-6-10(2)17(12)14(11)19/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyZPTKUQNZPPBLPH-UHFFFAOYSA-N
XLogP1.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.53
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

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
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-(1,1-dimethylethyl)-6-methyl-4-oxo-
CID 3079276
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-(2,2-dimethylpropyl)-6-methyl-4-oxo-
CID 3079278
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-(1,1-dimethylpropyl)-6-methyl-4-oxo-
CID 3079282

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079275) is N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZPTKUQNZPPBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-8-15-13(18)11-9-16-12-7-5-6-10(2)17(12)14(11)19/h5-7,9H,3-4,8H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).