2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide

C26H36N6O — CID 10114711

IUPAC2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2ccccn2)c2ccccc2)n1
InChIInChI=1S/C26H36N6O/c1-2-3-4-5-6-7-8-9-10-16-21-32-30-25(29-31-32)24(22-17-12-11-13-18-22)26(33)28-23-19-14-15-20-27-23/h11-15,17-20,24H,2-10,16,21H2,1H3,(H,27,28,33)
InChIKeyMEMMTAWPJWXADR-UHFFFAOYSA-N
MW448.62 g/mol
LogP5.76
Rot. Bonds15

About 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide

2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide (PubChem CID 10114711) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide
PubChem CID10114711
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2ccccn2)c2ccccc2)n1
InChIInChI=1S/C26H36N6O/c1-2-3-4-5-6-7-8-9-10-16-21-32-30-25(29-31-32)24(22-17-12-11-13-18-22)26(33)28-23-19-14-15-20-27-23/h11-15,17-20,24H,2-10,16,21H2,1H3,(H,27,28,33)
InChIKeyMEMMTAWPJWXADR-UHFFFAOYSA-N
XLogP5.76
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.62
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide (CID 10114711) is 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide is CCCCCCCCCCCCn1nnc(C(C(=O)Nc2ccccn2)c2ccccc2)n1.
What is the InChIKey of 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide?
The InChIKey is MEMMTAWPJWXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/c1-2-3-4-5-6-7-8-9-10-16-21-32-30-25(29-31-32)24(22-17-12-11-13-18-22)26(33)28-23-19-14-15-20-27-23/h11-15,17-20,24H,2-10,16,21H2,1H3,(H,27,28,33).
What are the key properties of 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide?
2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide has a molecular weight of 448.62 g/mol, XLogP of 5.76, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 10114711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).