3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide

C16H25N3O2 — CID 113120223

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C16H25N3O2/c1-3-4-6-11-18-16(21)9-12-19(14(2)20)13-15-8-5-7-10-17-15/h5,7-8,10H,3-4,6,9,11-13H2,1-2H3,(H,18,21)
InChIKeyWJEODCOJPOMVQV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.13
Rot. Bonds9

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide (PubChem CID 113120223) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
PubChem CID113120223
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C16H25N3O2/c1-3-4-6-11-18-16(21)9-12-19(14(2)20)13-15-8-5-7-10-17-15/h5,7-8,10H,3-4,6,9,11-13H2,1-2H3,(H,18,21)
InChIKeyWJEODCOJPOMVQV-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide 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

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-[bis(pyridin-2-ylmethyl)amino]-N-octadecylpropanamide
CID 10885861
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113120157
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide (CID 113120223) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide is CCCCCNC(=O)CCN(Cc1ccccn1)C(C)=O.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide?
The InChIKey is WJEODCOJPOMVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-4-6-11-18-16(21)9-12-19(14(2)20)13-15-8-5-7-10-17-15/h5,7-8,10H,3-4,6,9,11-13H2,1-2H3,(H,18,21).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 113120223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).