N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide

C15H20N6O — CID 860956

IUPACN-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2cccnc2)n1)C1CCCCC1
InChIInChI=1S/C15H20N6O/c1-20(13-7-3-2-4-8-13)14(22)11-21-18-15(17-19-21)12-6-5-9-16-10-12/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyLROOYLNBAMLXQS-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.53
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide

N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide (PubChem CID 860956) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
PubChem CID860956
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2cccnc2)n1)C1CCCCC1
InChIInChI=1S/C15H20N6O/c1-20(13-7-3-2-4-8-13)14(22)11-21-18-15(17-19-21)12-6-5-9-16-10-12/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyLROOYLNBAMLXQS-UHFFFAOYSA-N
XLogP1.53
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide (CID 860956) is N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide is CN(C(=O)Cn1nnc(-c2cccnc2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
The InChIKey is LROOYLNBAMLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20(13-7-3-2-4-8-13)14(22)11-21-18-15(17-19-21)12-6-5-9-16-10-12/h5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide?
N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide has a molecular weight of 300.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(5-pyridin-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 860956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).