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

C17H17N5O — CID 167895237

IUPAC2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2cccc(-n3cncn3)c2)cn1
InChIInChI=1S/C17H17N5O/c1-13-5-6-15(9-19-13)8-17(23)20-10-14-3-2-4-16(7-14)22-12-18-11-21-22/h2-7,9,11-12H,8,10H2,1H3,(H,20,23)
InChIKeyRROPKQAXDNVFNL-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.83
Rot. Bonds5

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

2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 167895237) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID167895237
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2cccc(-n3cncn3)c2)cn1
InChIInChI=1S/C17H17N5O/c1-13-5-6-15(9-19-13)8-17(23)20-10-14-3-2-4-16(7-14)22-12-18-11-21-22/h2-7,9,11-12H,8,10H2,1H3,(H,20,23)
InChIKeyRROPKQAXDNVFNL-UHFFFAOYSA-N
XLogP1.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695
3-(4-aminophenyl)-3-methyl-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 166319108
(2S)-2-(azepan-1-yl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 124606786
N-[(2-methylphenyl)methyl]-2-[3-(1,2,4-triazol-1-yl)phenoxy]acetamide
CID 71986345
3-[[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]benzoic acid
CID 146087508
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63943267
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
CID 166216423
2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 136526414
2-thiomorpholin-3-yl-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119939028
3-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119781706
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119781726
4-[[3-(1,2,4-triazol-1-yl)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002728

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 167895237) is 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is Cc1ccc(CC(=O)NCc2cccc(-n3cncn3)c2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is RROPKQAXDNVFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13-5-6-15(9-19-13)8-17(23)20-10-14-3-2-4-16(7-14)22-12-18-11-21-22/h2-7,9,11-12H,8,10H2,1H3,(H,20,23).
What are the key properties of 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 167895237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).