N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine

C28H26F4N4 — CID 24735173

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
SMILESFc1ccc(CN2CCC(CNc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)cc1
InChIInChI=1S/C28H26F4N4/c29-22-8-6-20(7-9-22)18-36-14-12-19(13-15-36)16-33-27-23-10-11-25(28(30,31)32)35-26(23)24(17-34-27)21-4-2-1-3-5-21/h1-11,17,19H,12-16,18H2,(H,33,34)
InChIKeyRZXRGKVPERLSLJ-UHFFFAOYSA-N
MW494.54 g/mol
LogP6.78
Rot. Bonds6

About N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine

N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine (PubChem CID 24735173) has the molecular formula C28H26F4N4 and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
PubChem CID24735173
Molecular FormulaC28H26F4N4
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
SMILESFc1ccc(CN2CCC(CNc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)cc1
InChIInChI=1S/C28H26F4N4/c29-22-8-6-20(7-9-22)18-36-14-12-19(13-15-36)16-33-27-23-10-11-25(28(30,31)32)35-26(23)24(17-34-27)21-4-2-1-3-5-21/h1-11,17,19H,12-16,18H2,(H,33,34)
InChIKeyRZXRGKVPERLSLJ-UHFFFAOYSA-N
XLogP6.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine (CID 24735173) is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine is Fc1ccc(CN2CCC(CNc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The InChIKey is RZXRGKVPERLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4/c29-22-8-6-20(7-9-22)18-36-14-12-19(13-15-36)16-33-27-23-10-11-25(28(30,31)32)35-26(23)24(17-34-27)21-4-2-1-3-5-21/h1-11,17,19H,12-16,18H2,(H,33,34).
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine has a molecular weight of 494.54 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine is sourced from PubChem (CID 24735173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).