2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

C16H15N5O — CID 25345652

IUPAC2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H15N5O/c1-12-4-2-3-5-13(12)8-16(22)20-14-6-7-15(18-9-14)21-11-17-10-19-21/h2-7,9-11H,8H2,1H3,(H,20,22)
InChIKeyOWJYQEFOGMIWAV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 25345652) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
PubChem CID25345652
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H15N5O/c1-12-4-2-3-5-13(12)8-16(22)20-14-6-7-15(18-9-14)21-11-17-10-19-21/h2-7,9-11H,8H2,1H3,(H,20,22)
InChIKeyOWJYQEFOGMIWAV-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
1-[3-[4-[(5-Amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]pyrrolidin-1-yl]ethanone
CID 56593838
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide
CID 15658011
2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridin-3-yl]acetamide
CID 15658012
N-[3-[[[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475658
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589224
1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596862
2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide
CID 162653632

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (CID 25345652) is 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is Cc1ccccc1CC(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is OWJYQEFOGMIWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-4-2-3-5-13(12)8-16(22)20-14-6-7-15(18-9-14)21-11-17-10-19-21/h2-7,9-11H,8H2,1H3,(H,20,22).
What are the key properties of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 25345652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).