(1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine

C25H27F3N4 — CID 70293422

IUPAC(1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine
SMILESC=C(NC)[C@H](N[C@@H](CCc1ccc(C(F)(F)F)nc1)c1cccc(C)n1)c1ccccc1
InChIInChI=1S/C25H27F3N4/c1-17-8-7-11-21(31-17)22(14-12-19-13-15-23(30-16-19)25(26,27)28)32-24(18(2)29-3)20-9-5-4-6-10-20/h4-11,13,15-16,22,24,29,32H,2,12,14H2,1,3H3/t22-,24-/m0/s1
InChIKeyIWPMXBWDQMOIPE-UPVQGACJSA-N
MW440.51 g/mol
LogP5.54
Rot. Bonds9

About (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine

(1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine (PubChem CID 70293422) has the molecular formula C25H27F3N4 and a molecular weight of 440.51 g/mol. Its IUPAC name is (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine
PubChem CID70293422
Molecular FormulaC25H27F3N4
Molecular Weight440.51 g/mol
Exact Mass440.22
IUPAC Name(1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine
SMILESC=C(NC)[C@H](N[C@@H](CCc1ccc(C(F)(F)F)nc1)c1cccc(C)n1)c1ccccc1
InChIInChI=1S/C25H27F3N4/c1-17-8-7-11-21(31-17)22(14-12-19-13-15-23(30-16-19)25(26,27)28)32-24(18(2)29-3)20-9-5-4-6-10-20/h4-11,13,15-16,22,24,29,32H,2,12,14H2,1,3H3/t22-,24-/m0/s1
InChIKeyIWPMXBWDQMOIPE-UPVQGACJSA-N
XLogP5.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine 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 (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine?
The IUPAC name of (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine (CID 70293422) is (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine.
What is the SMILES notation for (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine?
The canonical SMILES for (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine is C=C(NC)[C@H](N[C@@H](CCc1ccc(C(F)(F)F)nc1)c1cccc(C)n1)c1ccccc1.
What is the InChIKey of (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine?
The InChIKey is IWPMXBWDQMOIPE-UPVQGACJSA-N. The full InChI is InChI=1S/C25H27F3N4/c1-17-8-7-11-21(31-17)22(14-12-19-13-15-23(30-16-19)25(26,27)28)32-24(18(2)29-3)20-9-5-4-6-10-20/h4-11,13,15-16,22,24,29,32H,2,12,14H2,1,3H3/t22-,24-/m0/s1.
What are the key properties of (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine?
(1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine has a molecular weight of 440.51 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-N-methyl-1-N-[(1S)-1-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-phenylprop-2-ene-1,2-diamine is sourced from PubChem (CID 70293422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).