N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide

C17H17N5O — CID 68773825

IUPACN-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCN(C(=O)C(c1ccccc1)c1ccccn1)c1ncn[nH]1
InChIInChI=1S/C17H17N5O/c1-2-22(17-19-12-20-21-17)16(23)15(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-12,15H,2H2,1H3,(H,19,20,21)
InChIKeyYQKVFJUXBDJGEK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide

N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 68773825) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID68773825
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCN(C(=O)C(c1ccccc1)c1ccccn1)c1ncn[nH]1
InChIInChI=1S/C17H17N5O/c1-2-22(17-19-12-20-21-17)16(23)15(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-12,15H,2H2,1H3,(H,19,20,21)
InChIKeyYQKVFJUXBDJGEK-UHFFFAOYSA-N
XLogP2.38
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373393
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
N-benzyl-2-(4-fluorophenyl)-N-methyl-2-pyridin-2-ylacetamide
CID 110373544
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379
4-(diethylamino)-4-oxo-3-pyridin-2-ylbutanoic acid
CID 112516163
N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373388
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680427
(2R)-1-(2-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396293
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 68773825) is N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is CCN(C(=O)C(c1ccccc1)c1ccccn1)c1ncn[nH]1.
What is the InChIKey of N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is YQKVFJUXBDJGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-22(17-19-12-20-21-17)16(23)15(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-12,15H,2H2,1H3,(H,19,20,21).
What are the key properties of N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 68773825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).