2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

C17H31N7O — CID 45192803

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C17H31N7O/c1-21-9-7-8-15(21)12-22(2)17(25)14-24-16(18-19-20-24)13-23-10-5-3-4-6-11-23/h15H,3-14H2,1-2H3
InChIKeyALERIIUQQWIOKI-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.60
Rot. Bonds6

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 45192803) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID45192803
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C17H31N7O/c1-21-9-7-8-15(21)12-22(2)17(25)14-24-16(18-19-20-24)13-23-10-5-3-4-6-11-23/h15H,3-14H2,1-2H3
InChIKeyALERIIUQQWIOKI-UHFFFAOYSA-N
XLogP0.60
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (CID 45192803) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is CN(CC1CCCN1C)C(=O)Cn1nnnc1CN1CCCCCC1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is ALERIIUQQWIOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-21-9-7-8-15(21)12-22(2)17(25)14-24-16(18-19-20-24)13-23-10-5-3-4-6-11-23/h15H,3-14H2,1-2H3.
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 45192803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).