N-butyl-1,2-dihydropyridine-3-carboxamide

C10H16N2O — CID 144846174

IUPACN-butyl-1,2-dihydropyridine-3-carboxamide
SMILESCCCCNC(=O)C1=CC=CNC1
InChIInChI=1S/C10H16N2O/c1-2-3-7-12-10(13)9-5-4-6-11-8-9/h4-6,11H,2-3,7-8H2,1H3,(H,12,13)
InChIKeyVWDVMPIPOWGNCA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.95
Rot. Bonds4

About N-butyl-1,2-dihydropyridine-3-carboxamide

N-butyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 144846174) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-butyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1,2-dihydropyridine-3-carboxamide
PubChem CID144846174
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-butyl-1,2-dihydropyridine-3-carboxamide
SMILESCCCCNC(=O)C1=CC=CNC1
InChIInChI=1S/C10H16N2O/c1-2-3-7-12-10(13)9-5-4-6-11-8-9/h4-6,11H,2-3,7-8H2,1H3,(H,12,13)
InChIKeyVWDVMPIPOWGNCA-UHFFFAOYSA-N
XLogP0.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-1,2-dihydropyridine-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

Related Compounds

1-methyl-N-[10-[(1-methyl-2H-pyridine-3-carbonyl)amino]decyl]-2H-pyridine-3-carboxamide
CID 67923287
2-(cyclopenta-1,3-diene-1-carbonylamino)ethyl-ethyl-dimethylazanium
CID 102391499
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
CID 551896
N-butylpyridine-4-carboxamide
CID 5030535
1H-azepine;N-pentylbenzamide
CID 175240845
N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
5-amino-N-butyl-2H-triazole-4-carboxamide
CID 110484769

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N-butyl-1,2-dihydropyridine-3-carboxamide (CID 144846174) is N-butyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N-butyl-1,2-dihydropyridine-3-carboxamide is CCCCNC(=O)C1=CC=CNC1.
What is the InChIKey of N-butyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is VWDVMPIPOWGNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-7-12-10(13)9-5-4-6-11-8-9/h4-6,11H,2-3,7-8H2,1H3,(H,12,13).
What are the key properties of N-butyl-1,2-dihydropyridine-3-carboxamide?
N-butyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 144846174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).