5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile

C18H11F3N4 — CID 164912154

IUPAC5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C18H11F3N4/c19-18(20,21)15-6-7-23-16(9-15)25-17-13(10-22)8-14(11-24-17)12-4-2-1-3-5-12/h1-9,11H,(H,23,24,25)
InChIKeyKRFKDNIKYRHCGH-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.78
Rot. Bonds3

About 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile

5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile (PubChem CID 164912154) has the molecular formula C18H11F3N4 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile
PubChem CID164912154
Molecular FormulaC18H11F3N4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Name5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C18H11F3N4/c19-18(20,21)15-6-7-23-16(9-15)25-17-13(10-22)8-14(11-24-17)12-4-2-1-3-5-12/h1-9,11H,(H,23,24,25)
InChIKeyKRFKDNIKYRHCGH-UHFFFAOYSA-N
XLogP4.78
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile (CID 164912154) is 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2)cnc1Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile?
The InChIKey is KRFKDNIKYRHCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4/c19-18(20,21)15-6-7-23-16(9-15)25-17-13(10-22)8-14(11-24-17)12-4-2-1-3-5-12/h1-9,11H,(H,23,24,25).
What are the key properties of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile?
5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile has a molecular weight of 340.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 164912154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).