3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide

C14H16FN3OS — CID 105385704

IUPAC3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)Cc2ccsc2)c1F
InChIInChI=1S/C14H16FN3OS/c1-9(7-10-4-6-20-8-10)18-14(19)11-3-5-17-13(16-2)12(11)15/h3-6,8-9H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCQYLYSQBDRVCBS-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.68
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 105385704) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID105385704
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)Cc2ccsc2)c1F
InChIInChI=1S/C14H16FN3OS/c1-9(7-10-4-6-20-8-10)18-14(19)11-3-5-17-13(16-2)12(11)15/h3-6,8-9H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCQYLYSQBDRVCBS-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105386176
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 105386606
3-fluoro-2-hydrazinyl-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105388315
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105385748
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
5-bromo-2-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 62176839
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105385432

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide (CID 105385704) is 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide is CNc1nccc(C(=O)NC(C)Cc2ccsc2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is CQYLYSQBDRVCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-9(7-10-4-6-20-8-10)18-14(19)11-3-5-17-13(16-2)12(11)15/h3-6,8-9H,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.68, 5 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-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105385704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).