5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide

C21H24N6O2 — CID 119864468

IUPAC5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)ccc1Oc1cccnc1
InChIInChI=1S/C21H24N6O2/c1-14-12-16(5-6-19(14)29-18-4-3-9-23-13-18)24-21(28)20-15(2)27(26-25-20)17-7-10-22-11-8-17/h3-6,9,12-13,17,22H,7-8,10-11H2,1-2H3,(H,24,28)
InChIKeyVVWAJQGPRBOPAI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.26
Rot. Bonds5

About 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119864468) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119864468
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)ccc1Oc1cccnc1
InChIInChI=1S/C21H24N6O2/c1-14-12-16(5-6-19(14)29-18-4-3-9-23-13-18)24-21(28)20-15(2)27(26-25-20)17-7-10-22-11-8-17/h3-6,9,12-13,17,22H,7-8,10-11H2,1-2H3,(H,24,28)
InChIKeyVVWAJQGPRBOPAI-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

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
5-methyl-N-(5-methyl-2-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119808194
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
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
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119780303

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119864468) is 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)ccc1Oc1cccnc1.
What is the InChIKey of 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is VVWAJQGPRBOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-12-16(5-6-19(14)29-18-4-3-9-23-13-18)24-21(28)20-15(2)27(26-25-20)17-7-10-22-11-8-17/h3-6,9,12-13,17,22H,7-8,10-11H2,1-2H3,(H,24,28).
What are the key properties of 5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-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-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119864468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).