N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

C26H25F3N2O2 — CID 69099784

IUPACN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESC=C(C)c1ccc(N(C/C=C/c2ccc(OC)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C26H25F3N2O2/c1-19(2)22-10-15-25(30-17-22)31(16-4-5-20-6-11-23(32-3)12-7-20)18-21-8-13-24(14-9-21)33-26(27,28)29/h4-15,17H,1,16,18H2,2-3H3/b5-4+
InChIKeyBNFMPIBOCKBCOI-SNAWJCMRSA-N
MW454.49 g/mol
LogP6.74
Rot. Bonds9

About N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 69099784) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID69099784
Molecular FormulaC26H25F3N2O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC NameN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESC=C(C)c1ccc(N(C/C=C/c2ccc(OC)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C26H25F3N2O2/c1-19(2)22-10-15-25(30-17-22)31(16-4-5-20-6-11-23(32-3)12-7-20)18-21-8-13-24(14-9-21)33-26(27,28)29/h4-15,17H,1,16,18H2,2-3H3/b5-4+
InChIKeyBNFMPIBOCKBCOI-SNAWJCMRSA-N
XLogP6.74
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 69099784) is N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is C=C(C)c1ccc(N(C/C=C/c2ccc(OC)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is BNFMPIBOCKBCOI-SNAWJCMRSA-N. The full InChI is InChI=1S/C26H25F3N2O2/c1-19(2)22-10-15-25(30-17-22)31(16-4-5-20-6-11-23(32-3)12-7-20)18-21-8-13-24(14-9-21)33-26(27,28)29/h4-15,17H,1,16,18H2,2-3H3/b5-4+.
What are the key properties of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 454.49 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-prop-1-en-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 69099784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).