N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide

C19H22F3N5O2 — CID 117090257

IUPACN-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)14-1-3-15(4-2-14)24-16-5-6-17(26-25-16)27-10-7-13(8-11-27)18(29)23-9-12-28/h1-6,13,28H,7-12H2,(H,23,29)(H,24,25)
InChIKeyLMYSSXGAXTVNNS-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.56
Rot. Bonds6

About N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide

N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 117090257) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID117090257
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC NameN-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)14-1-3-15(4-2-14)24-16-5-6-17(26-25-16)27-10-7-13(8-11-27)18(29)23-9-12-28/h1-6,13,28H,7-12H2,(H,23,29)(H,24,25)
InChIKeyLMYSSXGAXTVNNS-UHFFFAOYSA-N
XLogP2.56
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-anilinopyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 117084317
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 35440215
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
azepan-1-yl-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109126497
N-[2-(4-hydroxyphenyl)ethyl]-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117091509
N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117081263
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide (CID 117090257) is N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide is O=C(NCCO)C1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3)nn2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is LMYSSXGAXTVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c20-19(21,22)14-1-3-15(4-2-14)24-16-5-6-17(26-25-16)27-10-7-13(8-11-27)18(29)23-9-12-28/h1-6,13,28H,7-12H2,(H,23,29)(H,24,25).
What are the key properties of N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide?
N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 117090257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).