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

C16H21N3O2 — CID 3079279

IUPACN-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H21N3O2/c1-3-4-5-6-10-17-15(20)13-11-18-14-9-7-8-12(2)19(14)16(13)21/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyWQSDPVQRXJGUTP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds6

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

N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079279) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079279
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H21N3O2/c1-3-4-5-6-10-17-15(20)13-11-18-14-9-7-8-12(2)19(14)16(13)21/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyWQSDPVQRXJGUTP-UHFFFAOYSA-N
XLogP2.31
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079279) is N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCCNC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WQSDPVQRXJGUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-4-5-6-10-17-15(20)13-11-18-14-9-7-8-12(2)19(14)16(13)21/h7-9,11H,3-6,10H2,1-2H3,(H,17,20).
What are the key properties of N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).