2-propyl-N-(pyridin-3-ylmethyl)pentanamide

C14H22N2O — CID 11841476

IUPAC2-propyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCCC(CCC)C(=O)NCc1cccnc1
InChIInChI=1S/C14H22N2O/c1-3-6-13(7-4-2)14(17)16-11-12-8-5-9-15-10-12/h5,8-10,13H,3-4,6-7,11H2,1-2H3,(H,16,17)
InChIKeyIXSFUFRHFRIOGN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.91
Rot. Bonds7

About 2-propyl-N-(pyridin-3-ylmethyl)pentanamide

2-propyl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 11841476) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-propyl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-propyl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID11841476
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-propyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCCC(CCC)C(=O)NCc1cccnc1
InChIInChI=1S/C14H22N2O/c1-3-6-13(7-4-2)14(17)16-11-12-8-5-9-15-10-12/h5,8-10,13H,3-4,6-7,11H2,1-2H3,(H,16,17)
InChIKeyIXSFUFRHFRIOGN-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propyl-N-(pyridin-3-ylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 2-propyl-N-(pyridin-3-ylmethyl)pentanamide (CID 11841476) is 2-propyl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-propyl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 2-propyl-N-(pyridin-3-ylmethyl)pentanamide is CCCC(CCC)C(=O)NCc1cccnc1.
What is the InChIKey of 2-propyl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is IXSFUFRHFRIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-6-13(7-4-2)14(17)16-11-12-8-5-9-15-10-12/h5,8-10,13H,3-4,6-7,11H2,1-2H3,(H,16,17).
What are the key properties of 2-propyl-N-(pyridin-3-ylmethyl)pentanamide?
2-propyl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 11841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).