5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide

C15H13ClN2O — CID 53239977

IUPAC5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(C=Cc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,17,19)
InChIKeyHVTWLTGGYKBXHX-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.27
Rot. Bonds3

About 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide

5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide (PubChem CID 53239977) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide
PubChem CID53239977
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(C=Cc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,17,19)
InChIKeyHVTWLTGGYKBXHX-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide (CID 53239977) is 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(C=Cc2ccccc2Cl)c1.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is HVTWLTGGYKBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,17,19).
What are the key properties of 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide?
5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 53239977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).