6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O2 — CID 3079277

IUPAC6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C15H19N3O2/c1-3-4-5-9-16-14(19)12-10-17-13-8-6-7-11(2)18(13)15(12)20/h6-8,10H,3-5,9H2,1-2H3,(H,16,19)
InChIKeySRGIKNPVXCAQFR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds5

About 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079277) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079277
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C15H19N3O2/c1-3-4-5-9-16-14(19)12-10-17-13-8-6-7-11(2)18(13)15(12)20/h6-8,10H,3-5,9H2,1-2H3,(H,16,19)
InChIKeySRGIKNPVXCAQFR-UHFFFAOYSA-N
XLogP1.92
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079277) is 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCNC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SRGIKNPVXCAQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-5-9-16-14(19)12-10-17-13-8-6-7-11(2)18(13)15(12)20/h6-8,10H,3-5,9H2,1-2H3,(H,16,19).
What are the key properties of 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).