2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine

C25H25F3N2 — CID 126636403

IUPAC2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine
SMILESC=C1C=C(NC(=C)c2cc(C(F)(F)F)ccc2Cc2ccc(CCC)cc2)C=CN1
InChIInChI=1S/C25H25F3N2/c1-4-5-19-6-8-20(9-7-19)15-21-10-11-22(25(26,27)28)16-24(21)18(3)30-23-12-13-29-17(2)14-23/h6-14,16,29-30H,2-5,15H2,1H3
InChIKeyPGXGQSPHQVPSSU-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.32
Rot. Bonds7

About 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine

2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine (PubChem CID 126636403) has the molecular formula C25H25F3N2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine.

Molecular Properties

Compound Name2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine
PubChem CID126636403
Molecular FormulaC25H25F3N2
Molecular Weight410.48 g/mol
Exact Mass410.20
IUPAC Name2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine
SMILESC=C1C=C(NC(=C)c2cc(C(F)(F)F)ccc2Cc2ccc(CCC)cc2)C=CN1
InChIInChI=1S/C25H25F3N2/c1-4-5-19-6-8-20(9-7-19)15-21-10-11-22(25(26,27)28)16-24(21)18(3)30-23-12-13-29-17(2)14-23/h6-14,16,29-30H,2-5,15H2,1H3
InChIKeyPGXGQSPHQVPSSU-UHFFFAOYSA-N
XLogP6.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine?
The IUPAC name of 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine (CID 126636403) is 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine.
What is the SMILES notation for 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine?
The canonical SMILES for 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine is C=C1C=C(NC(=C)c2cc(C(F)(F)F)ccc2Cc2ccc(CCC)cc2)C=CN1.
What is the InChIKey of 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine?
The InChIKey is PGXGQSPHQVPSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2/c1-4-5-19-6-8-20(9-7-19)15-21-10-11-22(25(26,27)28)16-24(21)18(3)30-23-12-13-29-17(2)14-23/h6-14,16,29-30H,2-5,15H2,1H3.
What are the key properties of 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine?
2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine has a molecular weight of 410.48 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine is sourced from PubChem (CID 126636403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).