N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H16N4O — CID 164618609

IUPACN-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C16H16N4O/c1-2-12-3-5-13(6-4-12)9-17-16(21)14-7-8-15-19-18-11-20(15)10-14/h3-8,10-11H,2,9H2,1H3,(H,17,21)
InChIKeySUIWGMLLZRCQPL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164618609) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164618609
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C16H16N4O/c1-2-12-3-5-13(6-4-12)9-17-16(21)14-7-8-15-19-18-11-20(15)10-14/h3-8,10-11H,2,9H2,1H3,(H,17,21)
InChIKeySUIWGMLLZRCQPL-UHFFFAOYSA-N
XLogP2.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
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US10774086, Example 2
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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164618609) is N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is SUIWGMLLZRCQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-12-3-5-13(6-4-12)9-17-16(21)14-7-8-15-19-18-11-20(15)10-14/h3-8,10-11H,2,9H2,1H3,(H,17,21).
What are the key properties of N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164618609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).