3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide

C15H18FN3OS — CID 105386960

IUPAC3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCC(C)(C)c2cccs2)c1F
InChIInChI=1S/C15H18FN3OS/c1-15(2,11-5-4-8-21-11)9-19-14(20)10-6-7-18-13(17-3)12(10)16/h4-8H,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQAAPCUCQFSWBQH-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.03
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide (PubChem CID 105386960) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide
PubChem CID105386960
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCC(C)(C)c2cccs2)c1F
InChIInChI=1S/C15H18FN3OS/c1-15(2,11-5-4-8-21-11)9-19-14(20)10-6-7-18-13(17-3)12(10)16/h4-8H,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQAAPCUCQFSWBQH-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 81245260
3-fluoro-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295596
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
CID 105386402
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 80526929
3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 105386926
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104742615
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624243
5-amino-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 80526889
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 78962887
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide (CID 105386960) is 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide is CNc1nccc(C(=O)NCC(C)(C)c2cccs2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The InChIKey is QAAPCUCQFSWBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-15(2,11-5-4-8-21-11)9-19-14(20)10-6-7-18-13(17-3)12(10)16/h4-8H,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.03, 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-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105386960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).