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

C20H16N6O — CID 3738322

IUPACN-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H16N6O/c27-19(14-26-24-20(23-25-26)16-10-12-21-13-11-16)22-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,27)
InChIKeyYAUPHOKOQGSHFR-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.04
Rot. Bonds5

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

N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (PubChem CID 3738322) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
PubChem CID3738322
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC NameN-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H16N6O/c27-19(14-26-24-20(23-25-26)16-10-12-21-13-11-16)22-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,27)
InChIKeyYAUPHOKOQGSHFR-UHFFFAOYSA-N
XLogP3.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 5301595
N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 859291
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-yl-3-pyridinyl)acetamide
CID 55979042
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-cyclopropyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzamide
CID 27995227
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 24564897
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (CID 3738322) is N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)n1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The InChIKey is YAUPHOKOQGSHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c27-19(14-26-24-20(23-25-26)16-10-12-21-13-11-16)22-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,27).
What are the key properties of N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 3738322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).