5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C16H17BrN2O2S — CID 90610645

IUPAC5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C16H17BrN2O2S/c17-13-8-12(9-18-10-13)16(20)19(11-15-2-1-7-22-15)14-3-5-21-6-4-14/h1-2,7-10,14H,3-6,11H2
InChIKeyAXWSPBWPAWGQHA-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 90610645) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID90610645
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C16H17BrN2O2S/c17-13-8-12(9-18-10-13)16(20)19(11-15-2-1-7-22-15)14-3-5-21-6-4-14/h1-2,7-10,14H,3-6,11H2
InChIKeyAXWSPBWPAWGQHA-UHFFFAOYSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 90610645) is 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(c1cncc(Br)c1)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AXWSPBWPAWGQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c17-13-8-12(9-18-10-13)16(20)19(11-15-2-1-7-22-15)14-3-5-21-6-4-14/h1-2,7-10,14H,3-6,11H2.
What are the key properties of 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90610645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).