N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide

C21H21F3N6O — CID 24735489

IUPACN-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1)c1cccnc1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)18-4-3-16-17(28-18)5-7-26-19(16)30-12-10-29(11-13-30)9-8-27-20(31)15-2-1-6-25-14-15/h1-7,14H,8-13H2,(H,27,31)
InChIKeyPZFWKHVPINFPLV-UHFFFAOYSA-N
MW430.43 g/mol
LogP2.60
Rot. Bonds5

About N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide

N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 24735489) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID24735489
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC NameN-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1)c1cccnc1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)18-4-3-16-17(28-18)5-7-26-19(16)30-12-10-29(11-13-30)9-8-27-20(31)15-2-1-6-25-14-15/h1-7,14H,8-13H2,(H,27,31)
InChIKeyPZFWKHVPINFPLV-UHFFFAOYSA-N
XLogP2.60
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-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

Related Compounds

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 139793638
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
CID 24735017
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 24734739
[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine
CID 24735477
N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide
CID 24735957
N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 24735526
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
(E)-but-2-enedioic acid;4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 159078768
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone
CID 24735861

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide (CID 24735489) is N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide is O=C(NCCN1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1)c1cccnc1.
What is the InChIKey of N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is PZFWKHVPINFPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c22-21(23,24)18-4-3-16-17(28-18)5-7-26-19(16)30-12-10-29(11-13-30)9-8-27-20(31)15-2-1-6-25-14-15/h1-7,14H,8-13H2,(H,27,31).
What are the key properties of N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide?
N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 24735489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).