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

C16H19N3O3 — CID 113120169

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)Cc1ccccn1
InChIInChI=1S/C16H19N3O3/c1-13(20)19(12-14-5-2-3-8-17-14)9-7-16(21)18-11-15-6-4-10-22-15/h2-6,8,10H,7,9,11-12H2,1H3,(H,18,21)
InChIKeyQSYJYMRSAGDVDV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.73
Rot. Bonds7

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

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 113120169) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID113120169
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)Cc1ccccn1
InChIInChI=1S/C16H19N3O3/c1-13(20)19(12-14-5-2-3-8-17-14)9-7-16(21)18-11-15-6-4-10-22-15/h2-6,8,10H,7,9,11-12H2,1H3,(H,18,21)
InChIKeyQSYJYMRSAGDVDV-UHFFFAOYSA-N
XLogP1.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide 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-[(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-prop-2-enylpropanamide
CID 113120148
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113119443
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113120923
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
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-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide (CID 113120169) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccco1)Cc1ccccn1.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is QSYJYMRSAGDVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-13(20)19(12-14-5-2-3-8-17-14)9-7-16(21)18-11-15-6-4-10-22-15/h2-6,8,10H,7,9,11-12H2,1H3,(H,18,21).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113120169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).