N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide

C22H25F3N4O2 — CID 11590143

IUPACN-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)17-3-1-2-4-19(17)31-16-10-13-29(14-11-16)20-8-7-18(27-28-20)21(30)26-12-9-15-5-6-15/h1-4,7-8,15-16H,5-6,9-14H2,(H,26,30)
InChIKeyDKQAVHPBVZRTNF-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.07
Rot. Bonds7

About N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide

N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 11590143) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID11590143
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC NameN-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)17-3-1-2-4-19(17)31-16-10-13-29(14-11-16)20-8-7-18(27-28-20)21(30)26-12-9-15-5-6-15/h1-4,7-8,15-16H,5-6,9-14H2,(H,26,30)
InChIKeyDKQAVHPBVZRTNF-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide (CID 11590143) is N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is DKQAVHPBVZRTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c23-22(24,25)17-3-1-2-4-19(17)31-16-10-13-29(14-11-16)20-8-7-18(27-28-20)21(30)26-12-9-15-5-6-15/h1-4,7-8,15-16H,5-6,9-14H2,(H,26,30).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11590143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).