N,N-dihexylpyridine-3-carboxamide

C18H30N2O — CID 533165

IUPACN,N-dihexylpyridine-3-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccnc1
InChIInChI=1S/C18H30N2O/c1-3-5-7-9-14-20(15-10-8-6-4-2)18(21)17-12-11-13-19-16-17/h11-13,16H,3-10,14-15H2,1-2H3
InChIKeyQYZSGTMURONPKY-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.68
Rot. Bonds11

About N,N-dihexylpyridine-3-carboxamide

N,N-dihexylpyridine-3-carboxamide (PubChem CID 533165) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-dihexylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dihexylpyridine-3-carboxamide
PubChem CID533165
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-dihexylpyridine-3-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccnc1
InChIInChI=1S/C18H30N2O/c1-3-5-7-9-14-20(15-10-8-6-4-2)18(21)17-12-11-13-19-16-17/h11-13,16H,3-10,14-15H2,1-2H3
InChIKeyQYZSGTMURONPKY-UHFFFAOYSA-N
XLogP4.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dihexylpyridine-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,N-dihexylpyridine-3-carboxamide?
The IUPAC name of N,N-dihexylpyridine-3-carboxamide (CID 533165) is N,N-dihexylpyridine-3-carboxamide.
What is the SMILES notation for N,N-dihexylpyridine-3-carboxamide?
The canonical SMILES for N,N-dihexylpyridine-3-carboxamide is CCCCCCN(CCCCCC)C(=O)c1cccnc1.
What is the InChIKey of N,N-dihexylpyridine-3-carboxamide?
The InChIKey is QYZSGTMURONPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-7-9-14-20(15-10-8-6-4-2)18(21)17-12-11-13-19-16-17/h11-13,16H,3-10,14-15H2,1-2H3.
What are the key properties of N,N-dihexylpyridine-3-carboxamide?
N,N-dihexylpyridine-3-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylpyridine-3-carboxamide is sourced from PubChem (CID 533165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).