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

C21H24N6O2 — CID 119852347

IUPAC5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cn2)cc1
InChIInChI=1S/C21H24N6O2/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)
InChIKeyXYSWQNJQFXPOCT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.26
Rot. Bonds5

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

5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119852347) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119852347
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cn2)cc1
InChIInChI=1S/C21H24N6O2/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)
InChIKeyXYSWQNJQFXPOCT-UHFFFAOYSA-N
XLogP3.26
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119852346
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763416
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
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
5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119858954
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119849080
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119852347) is 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cn2)cc1.
What is the InChIKey of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XYSWQNJQFXPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/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).
What are the key properties of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.26, 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 is sourced from PubChem (CID 119852347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).