6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C17H17F4N3O — CID 69356121

IUPAC6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C17H17F4N3O/c1-10(2)8-23-16(25)13-9-22-15(7-14(13)17(19,20)21)24-12-5-3-4-11(18)6-12/h3-7,9-10H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOUMXKGMKBVACFR-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.37
Rot. Bonds5

About 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide

6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69356121) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69356121
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC Name6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C17H17F4N3O/c1-10(2)8-23-16(25)13-9-22-15(7-14(13)17(19,20)21)24-12-5-3-4-11(18)6-12/h3-7,9-10H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOUMXKGMKBVACFR-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731692
6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10342262
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
6-anilino-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354686
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355064
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 171921541
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 69356121) is 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide is CC(C)CNC(=O)c1cnc(Nc2cccc(F)c2)cc1C(F)(F)F.
What is the InChIKey of 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OUMXKGMKBVACFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O/c1-10(2)8-23-16(25)13-9-22-15(7-14(13)17(19,20)21)24-12-5-3-4-11(18)6-12/h3-7,9-10H,8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69356121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).