4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide

C12H11ClN2OS — CID 81233279

IUPAC4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cscc1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-8-6-17-7-9(8)4-15-12(16)10-5-14-3-2-11(10)13/h2-3,5-7H,4H2,1H3,(H,15,16)
InChIKeyNZEYWNHVMNCRHU-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.03
Rot. Bonds3

About 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide

4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 81233279) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
PubChem CID81233279
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cscc1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-8-6-17-7-9(8)4-15-12(16)10-5-14-3-2-11(10)13/h2-3,5-7H,4H2,1H3,(H,15,16)
InChIKeyNZEYWNHVMNCRHU-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide (CID 81233279) is 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide is Cc1cscc1CNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NZEYWNHVMNCRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-6-17-7-9(8)4-15-12(16)10-5-14-3-2-11(10)13/h2-3,5-7H,4H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81233279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).