N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C24H23F3N4O4 — CID 134609705

IUPACN-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
InChIInChI=1S/C24H23F3N4O4/c1-14-3-4-16(29-21(33)15-5-6-28-20(9-15)24(25,26)27)10-17(14)19-11-18(23(2)12-34-13-23)22(31-30-19)35-8-7-32/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H,29,33)
InChIKeyDDXSLYGKJWGWRJ-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.78
Rot. Bonds7

About N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 134609705) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID134609705
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
InChIInChI=1S/C24H23F3N4O4/c1-14-3-4-16(29-21(33)15-5-6-28-20(9-15)24(25,26)27)10-17(14)19-11-18(23(2)12-34-13-23)22(31-30-19)35-8-7-32/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H,29,33)
InChIKeyDDXSLYGKJWGWRJ-UHFFFAOYSA-N
XLogP3.78
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 134609705) is N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1.
What is the InChIKey of N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is DDXSLYGKJWGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-14-3-4-16(29-21(33)15-5-6-28-20(9-15)24(25,26)27)10-17(14)19-11-18(23(2)12-34-13-23)22(31-30-19)35-8-7-32/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H,29,33).
What are the key properties of N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 134609705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).