N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

C16H16N6O2 — CID 644968

IUPACN-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6O2/c1-24-14-5-3-2-4-13(14)10-18-15(23)11-22-20-16(19-21-22)12-6-8-17-9-7-12/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyOJEJKWUQFREXKZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.06
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (PubChem CID 644968) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
PubChem CID644968
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6O2/c1-24-14-5-3-2-4-13(14)10-18-15(23)11-22-20-16(19-21-22)12-6-8-17-9-7-12/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyOJEJKWUQFREXKZ-UHFFFAOYSA-N
XLogP1.06
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 7963815
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1454693
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51284749
N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 5301595
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
N-[(2-methoxyphenyl)methyl]-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369555
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
methyl 3-[[2-(5-pyridin-4-yltetrazol-2-yl)acetyl]amino]benzoate
CID 859178
N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109021958
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (CID 644968) is N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is COc1ccccc1CNC(=O)Cn1nnc(-c2ccncc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The InChIKey is OJEJKWUQFREXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-14-5-3-2-4-13(14)10-18-15(23)11-22-20-16(19-21-22)12-6-8-17-9-7-12/h2-9H,10-11H2,1H3,(H,18,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 644968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).