2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide

C17H13ClN2OS — CID 134208820

IUPAC2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide
SMILESCc1ccc(-c2cnc(Cl)cc2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H13ClN2OS/c1-11-7-8-15(22-11)14-10-19-16(18)9-13(14)17(21)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyRGHBQOCYFGXSPG-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.02
Rot. Bonds3

About 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide

2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide (PubChem CID 134208820) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide
PubChem CID134208820
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide
SMILESCc1ccc(-c2cnc(Cl)cc2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H13ClN2OS/c1-11-7-8-15(22-11)14-10-19-16(18)9-13(14)17(21)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyRGHBQOCYFGXSPG-UHFFFAOYSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide (CID 134208820) is 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide is Cc1ccc(-c2cnc(Cl)cc2C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide?
The InChIKey is RGHBQOCYFGXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-11-7-8-15(22-11)14-10-19-16(18)9-13(14)17(21)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21).
What are the key properties of 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide?
2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide has a molecular weight of 328.82 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 134208820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).