5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C21H26Cl2N6O2 — CID 119852346

IUPAC5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cn2)cc1.Cl.Cl
InChIInChI=1S/C21H24N6O2.2ClH/c1-14-3-6-18(7-4-14)29-19-8-5-16(13-23-19)24-21(28)20-15(2)27(26-25-20)17-9-11-22-12-10-17;;/h3-8,13,17,22H,9-12H2,1-2H3,(H,24,28);2*1H
InChIKeyGDLYTNRSIQSKMG-UHFFFAOYSA-N
MW465.39 g/mol
LogP4.10
Rot. Bonds5

About 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119852346) has the molecular formula C21H26Cl2N6O2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119852346
Molecular FormulaC21H26Cl2N6O2
Molecular Weight465.39 g/mol
Exact Mass464.15
IUPAC Name5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cn2)cc1.Cl.Cl
InChIInChI=1S/C21H24N6O2.2ClH/c1-14-3-6-18(7-4-14)29-19-8-5-16(13-23-19)24-21(28)20-15(2)27(26-25-20)17-9-11-22-12-10-17;;/h3-8,13,17,22H,9-12H2,1-2H3,(H,24,28);2*1H
InChIKeyGDLYTNRSIQSKMG-UHFFFAOYSA-N
XLogP4.10
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119852347
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763416
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
5-methyl-N-(5-methyl-2-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119808194
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119858954

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119852346) is 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1ccc(Oc2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cn2)cc1.Cl.Cl.
What is the InChIKey of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is GDLYTNRSIQSKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.2ClH/c1-14-3-6-18(7-4-14)29-19-8-5-16(13-23-19)24-21(28)20-15(2)27(26-25-20)17-9-11-22-12-10-17;;/h3-8,13,17,22H,9-12H2,1-2H3,(H,24,28);2*1H.
What are the key properties of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 465.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119852346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).