3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

C13H14FN3OS — CID 105386926

IUPAC3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCc2sccc2C)c1F
InChIInChI=1S/C13H14FN3OS/c1-8-4-6-19-10(8)7-17-13(18)9-3-5-16-12(15-2)11(9)14/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOCFNOGAIVNHRJP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.56
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 105386926) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
PubChem CID105386926
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCc2sccc2C)c1F
InChIInChI=1S/C13H14FN3OS/c1-8-4-6-19-10(8)7-17-13(18)9-3-5-16-12(15-2)11(9)14/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOCFNOGAIVNHRJP-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (CID 105386926) is 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is CNc1nccc(C(=O)NCc2sccc2C)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is OCFNOGAIVNHRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-4-6-19-10(8)7-17-13(18)9-3-5-16-12(15-2)11(9)14/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105386926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).