N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

C24H24F3N5O2 — CID 46908294

IUPACN-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cccnc4nc3C)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O2/c1-15-19(13-18-4-3-7-28-22(18)30-15)23(34)29-14-17-5-6-21(20(12-17)24(25,26)27)32-10-8-31(9-11-32)16(2)33/h3-7,12-13H,8-11,14H2,1-2H3,(H,29,34)
InChIKeyPYUPXOOKCMJQIV-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.56
Rot. Bonds4

About N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 46908294) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID46908294
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cccnc4nc3C)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O2/c1-15-19(13-18-4-3-7-28-22(18)30-15)23(34)29-14-17-5-6-21(20(12-17)24(25,26)27)32-10-8-31(9-11-32)16(2)33/h3-7,12-13H,8-11,14H2,1-2H3,(H,29,34)
InChIKeyPYUPXOOKCMJQIV-UHFFFAOYSA-N
XLogP3.56
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 46908294) is N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cccnc4nc3C)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is PYUPXOOKCMJQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-15-19(13-18-4-3-7-28-22(18)30-15)23(34)29-14-17-5-6-21(20(12-17)24(25,26)27)32-10-8-31(9-11-32)16(2)33/h3-7,12-13H,8-11,14H2,1-2H3,(H,29,34).
What are the key properties of N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).