N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C17H17N5O — CID 24645556

IUPACN-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cn2cncn2)cc1)c1ccccn1
InChIInChI=1S/C17H17N5O/c1-13(16-4-2-3-9-19-16)21-17(23)15-7-5-14(6-8-15)10-22-12-18-11-20-22/h2-9,11-13H,10H2,1H3,(H,21,23)
InChIKeyWBBNFZRCCJBFNQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.21
Rot. Bonds5

About N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 24645556) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID24645556
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cn2cncn2)cc1)c1ccccn1
InChIInChI=1S/C17H17N5O/c1-13(16-4-2-3-9-19-16)21-17(23)15-7-5-14(6-8-15)10-22-12-18-11-20-22/h2-9,11-13H,10H2,1H3,(H,21,23)
InChIKeyWBBNFZRCCJBFNQ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017973
N-[1-(1-benzofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508806
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42093175
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35251102
N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 94116750

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 24645556) is N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is CC(NC(=O)c1ccc(Cn2cncn2)cc1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is WBBNFZRCCJBFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13(16-4-2-3-9-19-16)21-17(23)15-7-5-14(6-8-15)10-22-12-18-11-20-22/h2-9,11-13H,10H2,1H3,(H,21,23).
What are the key properties of N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 24645556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).