6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide

C20H24N4O3 — CID 118911222

IUPAC6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN([C@@H](C)c3ccc4c(c3)OCO4)CC2)nc1
InChIInChI=1S/C20H24N4O3/c1-14(15-3-5-17-18(11-15)27-13-26-17)23-7-9-24(10-8-23)19-6-4-16(12-22-19)20(25)21-2/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyWSJYHYJSBKTVLP-AWEZNQCLSA-N
MW368.44 g/mol
LogP2.05
Rot. Bonds4

About 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide

6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 118911222) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID118911222
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN([C@@H](C)c3ccc4c(c3)OCO4)CC2)nc1
InChIInChI=1S/C20H24N4O3/c1-14(15-3-5-17-18(11-15)27-13-26-17)23-7-9-24(10-8-23)19-6-4-16(12-22-19)20(25)21-2/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyWSJYHYJSBKTVLP-AWEZNQCLSA-N
XLogP2.05
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide (CID 118911222) is 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(N2CCN([C@@H](C)c3ccc4c(c3)OCO4)CC2)nc1.
What is the InChIKey of 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is WSJYHYJSBKTVLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(15-3-5-17-18(11-15)27-13-26-17)23-7-9-24(10-8-23)19-6-4-16(12-22-19)20(25)21-2/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 118911222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).