4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide

C18H16F3N5O — CID 54582209

IUPAC4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)15-7-6-13(12-22)16(24-15)25-8-10-26(11-9-25)17(27)23-14-4-2-1-3-5-14/h1-7H,8-11H2,(H,23,27)
InChIKeyUACJERAJDGURMU-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.33
Rot. Bonds2

About 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide

4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 54582209) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
PubChem CID54582209
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)15-7-6-13(12-22)16(24-15)25-8-10-26(11-9-25)17(27)23-14-4-2-1-3-5-14/h1-7H,8-11H2,(H,23,27)
InChIKeyUACJERAJDGURMU-UHFFFAOYSA-N
XLogP3.33
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide (CID 54582209) is 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide is N#Cc1ccc(C(F)(F)F)nc1N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is UACJERAJDGURMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)15-7-6-13(12-22)16(24-15)25-8-10-26(11-9-25)17(27)23-14-4-2-1-3-5-14/h1-7H,8-11H2,(H,23,27).
What are the key properties of 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 54582209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).