3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C11H9FN2OS — CID 115645421

IUPAC3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccs1)c1ccncc1F
InChIInChI=1S/C11H9FN2OS/c12-10-7-13-4-3-9(10)11(15)14-6-8-2-1-5-16-8/h1-5,7H,6H2,(H,14,15)
InChIKeyZCPGAWSIDVGRMX-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.21
Rot. Bonds3

About 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 115645421) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID115645421
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccs1)c1ccncc1F
InChIInChI=1S/C11H9FN2OS/c12-10-7-13-4-3-9(10)11(15)14-6-8-2-1-5-16-8/h1-5,7H,6H2,(H,14,15)
InChIKeyZCPGAWSIDVGRMX-UHFFFAOYSA-N
XLogP2.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide
CID 97215945

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 115645421) is 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cccs1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ZCPGAWSIDVGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-10-7-13-4-3-9(10)11(15)14-6-8-2-1-5-16-8/h1-5,7H,6H2,(H,14,15).
What are the key properties of 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115645421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).