N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

C17H12F2N2OS — CID 34319564

IUPACN-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H12F2N2OS/c1-10-14(4-5-15(20-10)16-3-2-6-23-16)17(22)21-13-8-11(18)7-12(19)9-13/h2-9H,1H3,(H,21,22)
InChIKeyXLNNNWOEFLJVGL-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.65
Rot. Bonds3

About N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 34319564) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID34319564
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC NameN-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H12F2N2OS/c1-10-14(4-5-15(20-10)16-3-2-6-23-16)17(22)21-13-8-11(18)7-12(19)9-13/h2-9H,1H3,(H,21,22)
InChIKeyXLNNNWOEFLJVGL-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 34319564) is N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(-c2cccs2)ccc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is XLNNNWOEFLJVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c1-10-14(4-5-15(20-10)16-3-2-6-23-16)17(22)21-13-8-11(18)7-12(19)9-13/h2-9H,1H3,(H,21,22).
What are the key properties of N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 34319564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).