6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide

C12H11FN2OS — CID 115497750

IUPAC6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(F)n2)s1
InChIInChI=1S/C12H11FN2OS/c1-8-5-6-9(17-8)7-14-12(16)10-3-2-4-11(13)15-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyPEQQQVPKRKRHDH-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.52
Rot. Bonds3

About 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide

6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 115497750) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID115497750
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(F)n2)s1
InChIInChI=1S/C12H11FN2OS/c1-8-5-6-9(17-8)7-14-12(16)10-3-2-4-11(13)15-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyPEQQQVPKRKRHDH-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17410313
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6878933
5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 750373
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(5-methylthiophen-2-yl)methanone
CID 42606105
N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938
5-bromo-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 1247028
Pyridine-2-carboxylic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-phenyl-amide
CID 3205945
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 3950572
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 4307489
N'-(2-thienylmethylene)-2-pyridinecarbohydrazide
CID 5335261
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone
CID 42605990

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide (CID 115497750) is 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cccc(F)n2)s1.
What is the InChIKey of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is PEQQQVPKRKRHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-5-6-9(17-8)7-14-12(16)10-3-2-4-11(13)15-10/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).