N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

C18H14N6O — CID 859291

IUPACN-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N6O/c25-17(20-16-7-3-5-13-4-1-2-6-15(13)16)12-24-22-18(21-23-24)14-8-10-19-11-9-14/h1-11H,12H2,(H,20,25)
InChIKeyCAXBSLNLGJQSJG-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.53
Rot. Bonds4

About N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (PubChem CID 859291) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
PubChem CID859291
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC NameN-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N6O/c25-17(20-16-7-3-5-13-4-1-2-6-15(13)16)12-24-22-18(21-23-24)14-8-10-19-11-9-14/h1-11H,12H2,(H,20,25)
InChIKeyCAXBSLNLGJQSJG-UHFFFAOYSA-N
XLogP2.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.53
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-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
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
N-(2-methoxy-5-methylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 846173
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 651056
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide
CID 112812582

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (CID 859291) is N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)n1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The InChIKey is CAXBSLNLGJQSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c25-17(20-16-7-3-5-13-4-1-2-6-15(13)16)12-24-22-18(21-23-24)14-8-10-19-11-9-14/h1-11H,12H2,(H,20,25).
What are the key properties of N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 859291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).