2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide

C14H22N4O3 — CID 104625598

IUPAC2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C(C)CC
InChIInChI=1S/C14H22N4O3/c1-4-6-7-17(10(3)5-2)14(19)12-8-11(18(20)21)9-16-13(12)15/h8-10H,4-7H2,1-3H3,(H2,15,16)
InChIKeyFVKGGNRAWWLCDY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide

2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide (PubChem CID 104625598) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
PubChem CID104625598
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C(C)CC
InChIInChI=1S/C14H22N4O3/c1-4-6-7-17(10(3)5-2)14(19)12-8-11(18(20)21)9-16-13(12)15/h8-10H,4-7H2,1-3H3,(H2,15,16)
InChIKeyFVKGGNRAWWLCDY-UHFFFAOYSA-N
XLogP2.61
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-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

2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
CID 104593364
2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 104585993
N-butan-2-yl-N-butyl-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256224
2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 104589851
N-butan-2-yl-N-butyl-5-fluoro-2-nitrobenzamide
CID 61051050
2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
CID 86790471
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide (CID 104625598) is 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide is CCCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C(C)CC.
What is the InChIKey of 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide?
The InChIKey is FVKGGNRAWWLCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-6-7-17(10(3)5-2)14(19)12-8-11(18(20)21)9-16-13(12)15/h8-10H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide?
2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104625598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).