N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C13H22N6O — CID 82365180

IUPACN-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCCCCN(C)C(=O)CN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C13H22N6O/c1-3-4-7-18(2)12(20)10-19-8-5-6-11(9-19)13-14-16-17-15-13/h6H,3-5,7-10H2,1-2H3,(H,14,15,16,17)
InChIKeyONYPZXGSOQGPFQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.55
Rot. Bonds6

About N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 82365180) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID82365180
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC NameN-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCCCCN(C)C(=O)CN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C13H22N6O/c1-3-4-7-18(2)12(20)10-19-8-5-6-11(9-19)13-14-16-17-15-13/h6H,3-5,7-10H2,1-2H3,(H,14,15,16,17)
InChIKeyONYPZXGSOQGPFQ-UHFFFAOYSA-N
XLogP0.55
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]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 N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 82365180) is N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is CCCCN(C)C(=O)CN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is ONYPZXGSOQGPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-3-4-7-18(2)12(20)10-19-8-5-6-11(9-19)13-14-16-17-15-13/h6H,3-5,7-10H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 82365180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).