2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide

C13H17N3O — CID 79043546

IUPAC2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cccnc1C
InChIInChI=1S/C13H17N3O/c1-4-13(5-2,9-14)12(17)16-11-7-6-8-15-10(11)3/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyUNCBQRQFZYTRSY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.66
Rot. Bonds4

About 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide

2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide (PubChem CID 79043546) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
PubChem CID79043546
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cccnc1C
InChIInChI=1S/C13H17N3O/c1-4-13(5-2,9-14)12(17)16-11-7-6-8-15-10(11)3/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyUNCBQRQFZYTRSY-UHFFFAOYSA-N
XLogP2.66
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide 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-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide
CID 79043206
2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 79041968
2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
CID 55219236
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382
2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 55207137
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
CID 66254759
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
2-cyano-2-ethyl-N-(4-methyl-2-nitrophenyl)butanamide
CID 107857071
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide (CID 79043546) is 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide is CCC(C#N)(CC)C(=O)Nc1cccnc1C.
What is the InChIKey of 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide?
The InChIKey is UNCBQRQFZYTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-13(5-2,9-14)12(17)16-11-7-6-8-15-10(11)3/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide?
2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide is sourced from PubChem (CID 79043546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).