5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

C13H13ClN2OS — CID 134793661

IUPAC5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C13H13ClN2OS/c1-9(12-4-3-7-18-12)16(2)13(17)11-6-5-10(14)8-15-11/h3-9H,1-2H3
InChIKeyMABUNTAPASSWLS-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 134793661) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID134793661
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C13H13ClN2OS/c1-9(12-4-3-7-18-12)16(2)13(17)11-6-5-10(14)8-15-11/h3-9H,1-2H3
InChIKeyMABUNTAPASSWLS-UHFFFAOYSA-N
XLogP3.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 134793661) is 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is CC(c1cccs1)N(C)C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is MABUNTAPASSWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-9(12-4-3-7-18-12)16(2)13(17)11-6-5-10(14)8-15-11/h3-9H,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134793661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).