6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide

C14H15FN2OS — CID 115498038

IUPAC6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1cccc(F)n1)c1cccs1
InChIInChI=1S/C14H15FN2OS/c1-14(2,11-6-4-8-19-11)9-16-13(18)10-5-3-7-12(15)17-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyPTZGYTQJRLOMRD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.99
Rot. Bonds4

About 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide

6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide (PubChem CID 115498038) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
PubChem CID115498038
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1cccc(F)n1)c1cccs1
InChIInChI=1S/C14H15FN2OS/c1-14(2,11-6-4-8-19-11)9-16-13(18)10-5-3-7-12(15)17-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyPTZGYTQJRLOMRD-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.99
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

N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 80524375
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridazine-3-carboxamide
CID 80527740
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
CID 109389045
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 80526929
3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 105386960
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104742615

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide (CID 115498038) is 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide is CC(C)(CNC(=O)c1cccc(F)n1)c1cccs1.
What is the InChIKey of 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The InChIKey is PTZGYTQJRLOMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-14(2,11-6-4-8-19-11)9-16-13(18)10-5-3-7-12(15)17-10/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide has a molecular weight of 278.35 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 6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115498038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).