4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide

C27H24F3N3O — CID 71453121

IUPAC4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H24F3N3O/c1-18(19-10-12-20(13-11-19)22-5-2-7-23(17-22)27(28,29)30)32-25(34)9-3-8-24-15-14-21-6-4-16-31-26(21)33-24/h2,4-7,10-18H,3,8-9H2,1H3,(H,32,34)
InChIKeyAYBBJNZILBUREY-UHFFFAOYSA-N
MW463.50 g/mol
LogP6.52
Rot. Bonds7

About 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide

4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide (PubChem CID 71453121) has the molecular formula C27H24F3N3O and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
PubChem CID71453121
Molecular FormulaC27H24F3N3O
Molecular Weight463.50 g/mol
Exact Mass463.19
IUPAC Name4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H24F3N3O/c1-18(19-10-12-20(13-11-19)22-5-2-7-23(17-22)27(28,29)30)32-25(34)9-3-8-24-15-14-21-6-4-16-31-26(21)33-24/h2,4-7,10-18H,3,8-9H2,1H3,(H,32,34)
InChIKeyAYBBJNZILBUREY-UHFFFAOYSA-N
XLogP6.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
The IUPAC name of 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide (CID 71453121) is 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
The canonical SMILES for 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide is CC(NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
The InChIKey is AYBBJNZILBUREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O/c1-18(19-10-12-20(13-11-19)22-5-2-7-23(17-22)27(28,29)30)32-25(34)9-3-8-24-15-14-21-6-4-16-31-26(21)33-24/h2,4-7,10-18H,3,8-9H2,1H3,(H,32,34).
What are the key properties of 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide has a molecular weight of 463.50 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide is sourced from PubChem (CID 71453121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).