3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide

C15H15FN2OS — CID 97215945

IUPAC3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide
SMILESC[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccncc1F
InChIInChI=1S/C15H15FN2OS/c1-15(13-3-2-6-20-13)7-10(15)8-18-14(19)11-4-5-17-9-12(11)16/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-,15+/m1/s1
InChIKeyWKKYVTWITSUUFB-BMIGLBTASA-N
MW290.36 g/mol
LogP2.99
Rot. Bonds4

About 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide

3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide (PubChem CID 97215945) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide
PubChem CID97215945
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide
SMILESC[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccncc1F
InChIInChI=1S/C15H15FN2OS/c1-15(13-3-2-6-20-13)7-10(15)8-18-14(19)11-4-5-17-9-12(11)16/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-,15+/m1/s1
InChIKeyWKKYVTWITSUUFB-BMIGLBTASA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 84585188
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115646155
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-[(2R)-spiro[2.2]pentan-2-yl]pyridine-4-carboxamide
CID 129348790
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide
CID 134161548

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide (CID 97215945) is 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide is C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide?
The InChIKey is WKKYVTWITSUUFB-BMIGLBTASA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-15(13-3-2-6-20-13)7-10(15)8-18-14(19)11-4-5-17-9-12(11)16/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-,15+/m1/s1.
What are the key properties of 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide?
3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 97215945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).