6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile

C16H16FN3 — CID 133304782

IUPAC6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile
SMILESCC(C)(CNc1cccc(C#N)n1)c1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-16(2,12-5-3-6-13(17)9-12)11-19-15-8-4-7-14(10-18)20-15/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyCBKUJEUHKMTNKN-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.48
Rot. Bonds4

About 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile

6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile (PubChem CID 133304782) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile
PubChem CID133304782
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile
SMILESCC(C)(CNc1cccc(C#N)n1)c1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-16(2,12-5-3-6-13(17)9-12)11-19-15-8-4-7-14(10-18)20-15/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyCBKUJEUHKMTNKN-UHFFFAOYSA-N
XLogP3.48
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133392620
6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 166229612
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
CID 82016345
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile
CID 133380353
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
CID 115217984

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile (CID 133304782) is 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile is CC(C)(CNc1cccc(C#N)n1)c1cccc(F)c1.
What is the InChIKey of 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile?
The InChIKey is CBKUJEUHKMTNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-16(2,12-5-3-6-13(17)9-12)11-19-15-8-4-7-14(10-18)20-15/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile?
6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile has a molecular weight of 269.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133304782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).