2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide

C13H13FN2OS — CID 107358824

IUPAC2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cccnc1F
InChIInChI=1S/C13H13FN2OS/c1-9(8-10-4-3-7-18-10)16-13(17)11-5-2-6-15-12(11)14/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyKZJMJDHZCMQIGK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.64
Rot. Bonds4

About 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide

2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 107358824) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID107358824
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cccnc1F
InChIInChI=1S/C13H13FN2OS/c1-9(8-10-4-3-7-18-10)16-13(17)11-5-2-6-15-12(11)14/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyKZJMJDHZCMQIGK-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.64
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

4-fluoro-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112702369
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2-(ethylamino)-3-fluoro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63295814
2-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63107914
2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112575891
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 115330850
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 51495353
3-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 46964419

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (CID 107358824) is 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is CC(Cc1cccs1)NC(=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is KZJMJDHZCMQIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9(8-10-4-3-7-18-10)16-13(17)11-5-2-6-15-12(11)14/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 107358824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).