2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide

C14H21N7O — CID 91778729

IUPAC2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
SMILESCC(C)(C)CC(NC(=O)Cn1nnnc1N)c1cccnc1
InChIInChI=1S/C14H21N7O/c1-14(2,3)7-11(10-5-4-6-16-8-10)17-12(22)9-21-13(15)18-19-20-21/h4-6,8,11H,7,9H2,1-3H3,(H,17,22)(H2,15,18,20)
InChIKeyCULPZODBHBHAAZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.94
Rot. Bonds5

About 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide

2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide (PubChem CID 91778729) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
PubChem CID91778729
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
SMILESCC(C)(C)CC(NC(=O)Cn1nnnc1N)c1cccnc1
InChIInChI=1S/C14H21N7O/c1-14(2,3)7-11(10-5-4-6-16-8-10)17-12(22)9-21-13(15)18-19-20-21/h4-6,8,11H,7,9H2,1-3H3,(H,17,22)(H2,15,18,20)
InChIKeyCULPZODBHBHAAZ-UHFFFAOYSA-N
XLogP0.94
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6884557
2-[3-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]phenyl]-N-methylacetamide
CID 126442574
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131902711
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide
CID 122559172
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
CID 124844888
6-cyano-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 91840095
2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
CID 131946893
2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
CID 59951658

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide (CID 91778729) is 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide is CC(C)(C)CC(NC(=O)Cn1nnnc1N)c1cccnc1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide?
The InChIKey is CULPZODBHBHAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-14(2,3)7-11(10-5-4-6-16-8-10)17-12(22)9-21-13(15)18-19-20-21/h4-6,8,11H,7,9H2,1-3H3,(H,17,22)(H2,15,18,20).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide?
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide is sourced from PubChem (CID 91778729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).