N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide

C22H20N2O3 — CID 42776672

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccncc1
InChIInChI=1S/C22H20N2O3/c1-16(18-5-3-2-4-6-18)24(22(25)19-9-11-23-12-10-19)14-17-7-8-20-21(13-17)27-15-26-20/h2-13,16H,14-15H2,1H3
InChIKeyGUEZYIVARNFKQI-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.21
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 42776672) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID42776672
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccncc1
InChIInChI=1S/C22H20N2O3/c1-16(18-5-3-2-4-6-18)24(22(25)19-9-11-23-12-10-19)14-17-7-8-20-21(13-17)27-15-26-20/h2-13,16H,14-15H2,1H3
InChIKeyGUEZYIVARNFKQI-UHFFFAOYSA-N
XLogP4.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide 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

N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-N-(1-phenylethyl)benzamide
CID 42724863
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(1-phenylethyl)urea
CID 42725590
N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-N-(1-phenylethyl)benzamide
CID 42724864
N-(1-phenylethyl)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42657111
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylsulfanylphenyl)-1-(1-phenylethyl)urea
CID 42725637
1-(1,3-benzodioxol-5-ylmethyl)-1-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42725116
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
2-[2-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylethyl]amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 124977413
2-[2-[1,3-benzodioxol-5-ylmethyl-[(1R)-1-phenylethyl]amino]-2-oxoethoxy]-3-bromobenzoic acid
CID 124989442

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide (CID 42776672) is N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide is CC(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccncc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is GUEZYIVARNFKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(18-5-3-2-4-6-18)24(22(25)19-9-11-23-12-10-19)14-17-7-8-20-21(13-17)27-15-26-20/h2-13,16H,14-15H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 42776672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).