N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide

C28H34N4O5 — CID 176986426

IUPACN-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide
SMILESCOc1cc(OC2CCC(NC(=O)c3ccc(OC4CC5(CCC(O)CC5)C4)nn3)CC2)ccc1C#N
InChIInChI=1S/C28H34N4O5/c1-35-25-14-22(5-2-18(25)17-29)36-21-6-3-19(4-7-21)30-27(34)24-8-9-26(32-31-24)37-23-15-28(16-23)12-10-20(33)11-13-28/h2,5,8-9,14,19-21,23,33H,3-4,6-7,10-13,15-16H2,1H3,(H,30,34)
InChIKeyDBZWNDVZBXXIBC-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.94
Rot. Bonds7

About N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide

N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide (PubChem CID 176986426) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide
PubChem CID176986426
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC NameN-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide
SMILESCOc1cc(OC2CCC(NC(=O)c3ccc(OC4CC5(CCC(O)CC5)C4)nn3)CC2)ccc1C#N
InChIInChI=1S/C28H34N4O5/c1-35-25-14-22(5-2-18(25)17-29)36-21-6-3-19(4-7-21)30-27(34)24-8-9-26(32-31-24)37-23-15-28(16-23)12-10-20(33)11-13-28/h2,5,8-9,14,19-21,23,33H,3-4,6-7,10-13,15-16H2,1H3,(H,30,34)
InChIKeyDBZWNDVZBXXIBC-UHFFFAOYSA-N
XLogP3.94
TPSA126.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-2-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyrimidine-5-carboxamide
CID 176985479
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 176986293
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(9-hydroxy-2-azaspiro[5.5]undecan-2-yl)pyridazine-3-carboxamide
CID 176986460
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(9-hydroxyspiro[5.5]undecan-3-yl)oxybenzamide
CID 176982866
tert-butyl 3-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]oxyazetidine-1-carboxylate
CID 169195150
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 176986276
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-6-[4-[(4-hydroxypiperidin-1-yl)methyl]-3-methylpiperidin-1-yl]pyridazine-3-carboxamide
CID 176985420

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide?
The IUPAC name of N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide (CID 176986426) is N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide?
The canonical SMILES for N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide is COc1cc(OC2CCC(NC(=O)c3ccc(OC4CC5(CCC(O)CC5)C4)nn3)CC2)ccc1C#N.
What is the InChIKey of N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide?
The InChIKey is DBZWNDVZBXXIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-35-25-14-22(5-2-18(25)17-29)36-21-6-3-19(4-7-21)30-27(34)24-8-9-26(32-31-24)37-23-15-28(16-23)12-10-20(33)11-13-28/h2,5,8-9,14,19-21,23,33H,3-4,6-7,10-13,15-16H2,1H3,(H,30,34).
What are the key properties of N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide?
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide has a molecular weight of 506.60 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide is sourced from PubChem (CID 176986426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).