N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C21H24N6O — CID 46974306

IUPACN-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C21H24N6O/c28-20(16-27-24-21(23-25-27)17-9-3-1-4-10-17)26(19-12-5-2-6-13-19)15-18-11-7-8-14-22-18/h1,3-4,7-11,14,19H,2,5-6,12-13,15-16H2
InChIKeyPOVXMGFEUNHYNA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.10
Rot. Bonds6

About N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 46974306) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID46974306
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C21H24N6O/c28-20(16-27-24-21(23-25-27)17-9-3-1-4-10-17)26(19-12-5-2-6-13-19)15-18-11-7-8-14-22-18/h1,3-4,7-11,14,19H,2,5-6,12-13,15-16H2
InChIKeyPOVXMGFEUNHYNA-UHFFFAOYSA-N
XLogP3.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 46974306) is N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is POVXMGFEUNHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-20(16-27-24-21(23-25-27)17-9-3-1-4-10-17)26(19-12-5-2-6-13-19)15-18-11-7-8-14-22-18/h1,3-4,7-11,14,19H,2,5-6,12-13,15-16H2.
What are the key properties of N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 46974306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).