1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C26H28N6O — CID 167955174

IUPAC1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3nnc(Cc4ccc5ccccc5c4)n3C)C2)n1
InChIInChI=1S/C26H28N6O/c1-18-7-5-11-23(27-18)28-25(33)22-10-6-14-32(17-22)26-30-29-24(31(26)2)16-19-12-13-20-8-3-4-9-21(20)15-19/h3-5,7-9,11-13,15,22H,6,10,14,16-17H2,1-2H3,(H,27,28,33)
InChIKeyBXCBJCJUVODTRM-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.12
Rot. Bonds5

About 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 167955174) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID167955174
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3nnc(Cc4ccc5ccccc5c4)n3C)C2)n1
InChIInChI=1S/C26H28N6O/c1-18-7-5-11-23(27-18)28-25(33)22-10-6-14-32(17-22)26-30-29-24(31(26)2)16-19-12-13-20-8-3-4-9-21(20)15-19/h3-5,7-9,11-13,15,22H,6,10,14,16-17H2,1-2H3,(H,27,28,33)
InChIKeyBXCBJCJUVODTRM-UHFFFAOYSA-N
XLogP4.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 167955174) is 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3nnc(Cc4ccc5ccccc5c4)n3C)C2)n1.
What is the InChIKey of 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is BXCBJCJUVODTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18-7-5-11-23(27-18)28-25(33)22-10-6-14-32(17-22)26-30-29-24(31(26)2)16-19-12-13-20-8-3-4-9-21(20)15-19/h3-5,7-9,11-13,15,22H,6,10,14,16-17H2,1-2H3,(H,27,28,33).
What are the key properties of 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 167955174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).