N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

C16H16N6O — CID 5301595

IUPACN-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6O/c1-2-12-5-3-4-6-14(12)18-15(23)11-22-20-16(19-21-22)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3,(H,18,23)
InChIKeyDPUWCYIIHGLTED-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.94
Rot. Bonds5

About N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (PubChem CID 5301595) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
PubChem CID5301595
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6O/c1-2-12-5-3-4-6-14(12)18-15(23)11-22-20-16(19-21-22)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3,(H,18,23)
InChIKeyDPUWCYIIHGLTED-UHFFFAOYSA-N
XLogP1.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 859291
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 84603611
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (CID 5301595) is N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is CCc1ccccc1NC(=O)Cn1nnc(-c2ccncc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The InChIKey is DPUWCYIIHGLTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-12-5-3-4-6-14(12)18-15(23)11-22-20-16(19-21-22)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3,(H,18,23).
What are the key properties of N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 5301595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).