2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide

C15H21N3O — CID 79043206

IUPAC2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1cccnc1C
InChIInChI=1S/C15H21N3O/c1-4-8-15(11-16,9-5-2)14(19)18-13-7-6-10-17-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyXGDFHOVQNTURBV-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.44
Rot. Bonds6

About 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide

2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide (PubChem CID 79043206) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide
PubChem CID79043206
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1cccnc1C
InChIInChI=1S/C15H21N3O/c1-4-8-15(11-16,9-5-2)14(19)18-13-7-6-10-17-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyXGDFHOVQNTURBV-UHFFFAOYSA-N
XLogP3.44
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide 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-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043546
2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide
CID 104727193
N-(2-bromo-4-cyanophenyl)-2-cyano-2-propylpentanamide
CID 107790774
N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide
CID 62907903
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042
2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
CID 62303424
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 79041968
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide (CID 79043206) is 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)Nc1cccnc1C.
What is the InChIKey of 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide?
The InChIKey is XGDFHOVQNTURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-8-15(11-16,9-5-2)14(19)18-13-7-6-10-17-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide?
2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide has a molecular weight of 259.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide is sourced from PubChem (CID 79043206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).