6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

C16H14F3N3 — CID 11738282

IUPAC6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC[C@H](c1ccccc1)N(C)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C16H14F3N3/c1-11(12-6-4-3-5-7-12)22(2)15-8-14(16(17,18)19)13(9-20)10-21-15/h3-8,10-11H,1-2H3/t11-/m1/s1
InChIKeyWSOLZTILLRNJPH-LLVKDONJSA-N
MW305.30 g/mol
LogP4.17
Rot. Bonds3

About 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11738282) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11738282
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC[C@H](c1ccccc1)N(C)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C16H14F3N3/c1-11(12-6-4-3-5-7-12)22(2)15-8-14(16(17,18)19)13(9-20)10-21-15/h3-8,10-11H,1-2H3/t11-/m1/s1
InChIKeyWSOLZTILLRNJPH-LLVKDONJSA-N
XLogP4.17
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11738282) is 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is C[C@H](c1ccccc1)N(C)c1cc(C(F)(F)F)c(C#N)cn1.
What is the InChIKey of 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WSOLZTILLRNJPH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14F3N3/c1-11(12-6-4-3-5-7-12)22(2)15-8-14(16(17,18)19)13(9-20)10-21-15/h3-8,10-11H,1-2H3/t11-/m1/s1.
What are the key properties of 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 305.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(1R)-1-phenylethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11738282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).