5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide

C14H11FN2O2S — CID 104639407

IUPAC5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1sccc1C#CCO)c1ccc(F)cn1
InChIInChI=1S/C14H11FN2O2S/c15-11-3-4-12(16-8-11)14(19)17-9-13-10(2-1-6-18)5-7-20-13/h3-5,7-8,18H,6,9H2,(H,17,19)
InChIKeySSCYKFJEKCNLJQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.56
Rot. Bonds3

About 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide

5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 104639407) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
PubChem CID104639407
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1sccc1C#CCO)c1ccc(F)cn1
InChIInChI=1S/C14H11FN2O2S/c15-11-3-4-12(16-8-11)14(19)17-9-13-10(2-1-6-18)5-7-20-13/h3-5,7-8,18H,6,9H2,(H,17,19)
InChIKeySSCYKFJEKCNLJQ-UHFFFAOYSA-N
XLogP1.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
CID 104639396
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 104639388
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80738759
2-chloro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-methylbenzamide
CID 106862551
N-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 115825848
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283821
3-(3-hydroxyprop-1-ynyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 63798846
5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62958804
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide (CID 104639407) is 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide is O=C(NCc1sccc1C#CCO)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is SSCYKFJEKCNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-11-3-4-12(16-8-11)14(19)17-9-13-10(2-1-6-18)5-7-20-13/h3-5,7-8,18H,6,9H2,(H,17,19).
What are the key properties of 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104639407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).