N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide

C21H22F3N5OS — CID 24735957

IUPACN-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C21H22F3N5OS/c1-14(30)25-5-6-28-7-9-29(10-8-28)20-16-2-3-18(21(22,23)24)27-19(16)17(12-26-20)15-4-11-31-13-15/h2-4,11-13H,5-10H2,1H3,(H,25,30)
InChIKeyKZJCTYPYIGXISD-UHFFFAOYSA-N
MW449.50 g/mol
LogP3.64
Rot. Bonds5

About N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide (PubChem CID 24735957) has the molecular formula C21H22F3N5OS and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide
PubChem CID24735957
Molecular FormulaC21H22F3N5OS
Molecular Weight449.50 g/mol
Exact Mass449.15
IUPAC NameN-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C21H22F3N5OS/c1-14(30)25-5-6-28-7-9-29(10-8-28)20-16-2-3-18(21(22,23)24)27-19(16)17(12-26-20)15-4-11-31-13-15/h2-4,11-13H,5-10H2,1H3,(H,25,30)
InChIKeyKZJCTYPYIGXISD-UHFFFAOYSA-N
XLogP3.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 24734629
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanamine;hydrochloride
CID 24735951
5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734609
3-[[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethylamino]methyl]benzonitrile;hydrochloride
CID 24735949
1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
CID 24734599
N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide
CID 24734605
(1,5-dimethylpyrazol-3-yl)-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734638
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea
CID 24735919
N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepane-1-carboxamide
CID 24734643
N-(3-methoxyphenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepane-1-carboxamide
CID 24734644
1-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 24734768
(1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone
CID 24735157

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide (CID 24735957) is N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is KZJCTYPYIGXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5OS/c1-14(30)25-5-6-28-7-9-29(10-8-28)20-16-2-3-18(21(22,23)24)27-19(16)17(12-26-20)15-4-11-31-13-15/h2-4,11-13H,5-10H2,1H3,(H,25,30).
What are the key properties of N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 449.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 24735957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).