N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine

C24H22F3N3 — CID 142125686

IUPACN-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine
SMILESC=C(NC1=CC(c2ccccc2C(F)(F)F)NC2=C1C=CNC2)c1ccccc1C
InChIInChI=1S/C24H22F3N3/c1-15-7-3-4-8-17(15)16(2)29-22-13-21(30-23-14-28-12-11-19(22)23)18-9-5-6-10-20(18)24(25,26)27/h3-13,21,28-30H,2,14H2,1H3
InChIKeyNYJRUVDUFRXBJP-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.17
Rot. Bonds4

About N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine

N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine (PubChem CID 142125686) has the molecular formula C24H22F3N3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine
PubChem CID142125686
Molecular FormulaC24H22F3N3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine
SMILESC=C(NC1=CC(c2ccccc2C(F)(F)F)NC2=C1C=CNC2)c1ccccc1C
InChIInChI=1S/C24H22F3N3/c1-15-7-3-4-8-17(15)16(2)29-22-13-21(30-23-14-28-12-11-19(22)23)18-9-5-6-10-20(18)24(25,26)27/h3-13,21,28-30H,2,14H2,1H3
InChIKeyNYJRUVDUFRXBJP-UHFFFAOYSA-N
XLogP5.17
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine (CID 142125686) is N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine is C=C(NC1=CC(c2ccccc2C(F)(F)F)NC2=C1C=CNC2)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine?
The InChIKey is NYJRUVDUFRXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3/c1-15-7-3-4-8-17(15)16(2)29-22-13-21(30-23-14-28-12-11-19(22)23)18-9-5-6-10-20(18)24(25,26)27/h3-13,21,28-30H,2,14H2,1H3.
What are the key properties of N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine?
N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine has a molecular weight of 409.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine is sourced from PubChem (CID 142125686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).