N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide

C18H14N2O3S — CID 53149708

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccsc2)nc1
InChIInChI=1S/C18H14N2O3S/c21-18(13-2-3-15(19-9-13)14-5-6-24-10-14)20-8-12-1-4-16-17(7-12)23-11-22-16/h1-7,9-10H,8,11H2,(H,20,21)
InChIKeySETMAWBWOJFZMQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.47
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 53149708) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID53149708
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccsc2)nc1
InChIInChI=1S/C18H14N2O3S/c21-18(13-2-3-15(19-9-13)14-5-6-24-10-14)20-8-12-1-4-16-17(7-12)23-11-22-16/h1-7,9-10H,8,11H2,(H,20,21)
InChIKeySETMAWBWOJFZMQ-UHFFFAOYSA-N
XLogP3.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-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 N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide (CID 53149708) is N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccsc2)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is SETMAWBWOJFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-18(13-2-3-15(19-9-13)14-5-6-24-10-14)20-8-12-1-4-16-17(7-12)23-11-22-16/h1-7,9-10H,8,11H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).