N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide

C13H21N3O2 — CID 62177424

IUPACN-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCCCCOCCNC(=O)c1cc(NC)ccn1
InChIInChI=1S/C13H21N3O2/c1-3-4-8-18-9-7-16-13(17)12-10-11(14-2)5-6-15-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJWABQVQPUNWAJG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds8

About N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide

N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide (PubChem CID 62177424) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide
PubChem CID62177424
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCCCCOCCNC(=O)c1cc(NC)ccn1
InChIInChI=1S/C13H21N3O2/c1-3-4-8-18-9-7-16-13(17)12-10-11(14-2)5-6-15-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJWABQVQPUNWAJG-UHFFFAOYSA-N
XLogP1.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-butoxyethyl)-4-(methylamino)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

2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62178459
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
4-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027853
N-butyl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109202468
N-(cyclohexylmethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62169507
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
N-(2-butoxyethyl)-5-(methylamino)-2-nitrobenzamide
CID 62177960
N-[2-(dimethylsulfamoyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 106342692
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide (CID 62177424) is N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide is CCCCOCCNC(=O)c1cc(NC)ccn1.
What is the InChIKey of N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is JWABQVQPUNWAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-8-18-9-7-16-13(17)12-10-11(14-2)5-6-15-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide?
N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62177424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).