2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide

C15H13ClN6O2 — CID 166231317

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NOCc1cccnc1
InChIInChI=1S/C15H13ClN6O2/c16-13-5-3-12(4-6-13)15-18-21-22(19-15)9-14(23)20-24-10-11-2-1-7-17-8-11/h1-8H,9-10H2,(H,20,23)
InChIKeyWPPMAIHLFBMRSZ-UHFFFAOYSA-N
MW344.76 g/mol
LogP1.64
Rot. Bonds6

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide (PubChem CID 166231317) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide
PubChem CID166231317
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NOCc1cccnc1
InChIInChI=1S/C15H13ClN6O2/c16-13-5-3-12(4-6-13)15-18-21-22(19-15)9-14(23)20-24-10-11-2-1-7-17-8-11/h1-8H,9-10H2,(H,20,23)
InChIKeyWPPMAIHLFBMRSZ-UHFFFAOYSA-N
XLogP1.64
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide (CID 166231317) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NOCc1cccnc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide?
The InChIKey is WPPMAIHLFBMRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c16-13-5-3-12(4-6-13)15-18-21-22(19-15)9-14(23)20-24-10-11-2-1-7-17-8-11/h1-8H,9-10H2,(H,20,23).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide has a molecular weight of 344.76 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide is sourced from PubChem (CID 166231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).