N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C18H14F3N3 — CID 133332763

IUPACN-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)16-4-2-10-23-17(16)24-11-13-5-7-14(8-6-13)15-3-1-9-22-12-15/h1-10,12H,11H2,(H,23,24)
InChIKeyCHSMCBGQZNHHSJ-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.77
Rot. Bonds4

About N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 133332763) has the molecular formula C18H14F3N3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID133332763
Molecular FormulaC18H14F3N3
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC NameN-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)16-4-2-10-23-17(16)24-11-13-5-7-14(8-6-13)15-3-1-9-22-12-15/h1-10,12H,11H2,(H,23,24)
InChIKeyCHSMCBGQZNHHSJ-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine 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 N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 133332763) is N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCc1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CHSMCBGQZNHHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3/c19-18(20,21)16-4-2-10-23-17(16)24-11-13-5-7-14(8-6-13)15-3-1-9-22-12-15/h1-10,12H,11H2,(H,23,24).
What are the key properties of N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 329.33 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133332763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).