N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide

C11H17N3O — CID 62340960

IUPACN-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)CCN
InChIInChI=1S/C11H17N3O/c1-8-4-3-7-13-10(8)11(15)14-9(2)5-6-12/h3-4,7,9H,5-6,12H2,1-2H3,(H,14,15)
InChIKeyICGNDEHGSNIVSR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.86
Rot. Bonds4

About N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide

N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide (PubChem CID 62340960) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
PubChem CID62340960
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)CCN
InChIInChI=1S/C11H17N3O/c1-8-4-3-7-13-10(8)11(15)14-9(2)5-6-12/h3-4,7,9H,5-6,12H2,1-2H3,(H,14,15)
InChIKeyICGNDEHGSNIVSR-UHFFFAOYSA-N
XLogP0.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminobutan-2-yl)-3-methylpyridine-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

N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide (CID 62340960) is N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide?
The InChIKey is ICGNDEHGSNIVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-4-3-7-13-10(8)11(15)14-9(2)5-6-12/h3-4,7,9H,5-6,12H2,1-2H3,(H,14,15).
What are the key properties of N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide?
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 62340960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).