N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide

C22H19N3O4 — CID 109157444

IUPACN-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCc3ccc4c(c3)OCO4)nc2)c1
InChIInChI=1S/C22H19N3O4/c1-14(26)16-3-2-4-18(10-16)25-22(27)17-6-8-21(24-12-17)23-11-15-5-7-19-20(9-15)29-13-28-19/h2-10,12H,11,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyJVXHIJFSTMTCDB-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.88
Rot. Bonds6

About N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide

N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109157444) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide
PubChem CID109157444
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCc3ccc4c(c3)OCO4)nc2)c1
InChIInChI=1S/C22H19N3O4/c1-14(26)16-3-2-4-18(10-16)25-22(27)17-6-8-21(24-12-17)23-11-15-5-7-19-20(9-15)29-13-28-19/h2-10,12H,11,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyJVXHIJFSTMTCDB-UHFFFAOYSA-N
XLogP3.88
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-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

6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109157436
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
2-(3-acetylanilino)-N-(1,3-benzodioxol-5-ylmethyl)pyrimidine-5-carboxamide
CID 109258234
1-(3-acetylphenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea
CID 8626665
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156686
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide (CID 109157444) is N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(NCc3ccc4c(c3)OCO4)nc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is JVXHIJFSTMTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14(26)16-3-2-4-18(10-16)25-22(27)17-6-8-21(24-12-17)23-11-15-5-7-19-20(9-15)29-13-28-19/h2-10,12H,11,13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).