3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide

C11H17N3O2 — CID 104742127

IUPAC3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
SMILESCOCCCCNC(=O)c1ncccc1N
InChIInChI=1S/C11H17N3O2/c1-16-8-3-2-6-14-11(15)10-9(12)5-4-7-13-10/h4-5,7H,2-3,6,8,12H2,1H3,(H,14,15)
InChIKeyVZECFHXBMKGOJG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.82
Rot. Bonds6

About 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide

3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide (PubChem CID 104742127) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
PubChem CID104742127
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
SMILESCOCCCCNC(=O)c1ncccc1N
InChIInChI=1S/C11H17N3O2/c1-16-8-3-2-6-14-11(15)10-9(12)5-4-7-13-10/h4-5,7H,2-3,6,8,12H2,1H3,(H,14,15)
InChIKeyVZECFHXBMKGOJG-UHFFFAOYSA-N
XLogP0.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(4-methoxybutyl)pyridine-2-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

3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760
ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
CID 104742417
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide (CID 104742127) is 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide is COCCCCNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide?
The InChIKey is VZECFHXBMKGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-8-3-2-6-14-11(15)10-9(12)5-4-7-13-10/h4-5,7H,2-3,6,8,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide?
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 104742127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).