N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide

C20H22N4O — CID 71451702

IUPACN-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
SMILESCc1cccc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)c1
InChIInChI=1S/C20H22N4O/c1-14-6-5-9-16(12-14)17-10-11-18-21-20(23-24(18)13-17)22-19(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,22,23,25)
InChIKeyBJBSCNNHIJRKDB-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.22
Rot. Bonds3

About N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide

N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide (PubChem CID 71451702) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
PubChem CID71451702
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
SMILESCc1cccc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)c1
InChIInChI=1S/C20H22N4O/c1-14-6-5-9-16(12-14)17-10-11-18-21-20(23-24(18)13-17)22-19(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,22,23,25)
InChIKeyBJBSCNNHIJRKDB-UHFFFAOYSA-N
XLogP4.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide (CID 71451702) is N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide is Cc1cccc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)c1.
What is the InChIKey of N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The InChIKey is BJBSCNNHIJRKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-6-5-9-16(12-14)17-10-11-18-21-20(23-24(18)13-17)22-19(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,22,23,25).
What are the key properties of N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 71451702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).