2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide

C24H30N6O — CID 164613224

IUPAC2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCCCC3CCNCC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C24H30N6O/c1-30-17-23(28-29-30)22-16-20(15-21(27-22)14-19-6-3-2-4-7-19)24(31)26-11-5-8-18-9-12-25-13-10-18/h2-4,6-7,15-18,25H,5,8-14H2,1H3,(H,26,31)
InChIKeyYSFODZZERZPJFE-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.98
Rot. Bonds8

About 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide

2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide (PubChem CID 164613224) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide
PubChem CID164613224
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCCCC3CCNCC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C24H30N6O/c1-30-17-23(28-29-30)22-16-20(15-21(27-22)14-19-6-3-2-4-7-19)24(31)26-11-5-8-18-9-12-25-13-10-18/h2-4,6-7,15-18,25H,5,8-14H2,1H3,(H,26,31)
InChIKeyYSFODZZERZPJFE-UHFFFAOYSA-N
XLogP2.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide (CID 164613224) is 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)NCCCC3CCNCC3)cc(Cc3ccccc3)n2)nn1.
What is the InChIKey of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide?
The InChIKey is YSFODZZERZPJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-30-17-23(28-29-30)22-16-20(15-21(27-22)14-19-6-3-2-4-7-19)24(31)26-11-5-8-18-9-12-25-13-10-18/h2-4,6-7,15-18,25H,5,8-14H2,1H3,(H,26,31).
What are the key properties of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide?
2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(3-piperidin-4-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 164613224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).