3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide

C16H11F2N3OS — CID 129401193

IUPAC3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(-c2ncccc2NC(=O)c2ncc(F)cc2F)cs1
InChIInChI=1S/C16H11F2N3OS/c1-9-5-10(8-23-9)14-13(3-2-4-19-14)21-16(22)15-12(18)6-11(17)7-20-15/h2-8H,1H3,(H,21,22)
InChIKeySSSACKWBCSOSGN-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.04
Rot. Bonds3

About 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide

3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 129401193) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID129401193
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(-c2ncccc2NC(=O)c2ncc(F)cc2F)cs1
InChIInChI=1S/C16H11F2N3OS/c1-9-5-10(8-23-9)14-13(3-2-4-19-14)21-16(22)15-12(18)6-11(17)7-20-15/h2-8H,1H3,(H,21,22)
InChIKeySSSACKWBCSOSGN-UHFFFAOYSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 129401193) is 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide is Cc1cc(-c2ncccc2NC(=O)c2ncc(F)cc2F)cs1.
What is the InChIKey of 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is SSSACKWBCSOSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c1-9-5-10(8-23-9)14-13(3-2-4-19-14)21-16(22)15-12(18)6-11(17)7-20-15/h2-8H,1H3,(H,21,22).
What are the key properties of 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide?
3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 129401193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).