3-amino-2-(azetidin-1-yl)benzamide

C10H13N3O — CID 130548096

IUPAC3-amino-2-(azetidin-1-yl)benzamide
SMILESNC(=O)c1cccc(N)c1N1CCC1
InChIInChI=1S/C10H13N3O/c11-8-4-1-3-7(10(12)14)9(8)13-5-2-6-13/h1,3-4H,2,5-6,11H2,(H2,12,14)
InChIKeyLKWYJPWHLYDZLJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.58
Rot. Bonds2

About 3-amino-2-(azetidin-1-yl)benzamide

3-amino-2-(azetidin-1-yl)benzamide (PubChem CID 130548096) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-2-(azetidin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(azetidin-1-yl)benzamide
PubChem CID130548096
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-amino-2-(azetidin-1-yl)benzamide
SMILESNC(=O)c1cccc(N)c1N1CCC1
InChIInChI=1S/C10H13N3O/c11-8-4-1-3-7(10(12)14)9(8)13-5-2-6-13/h1,3-4H,2,5-6,11H2,(H2,12,14)
InChIKeyLKWYJPWHLYDZLJ-UHFFFAOYSA-N
XLogP0.58
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 115935111
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CID 112578510
3-amino-2-(3-oxo-1,4-diazepan-1-yl)benzamide
CID 112579159
3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
CID 112577647
3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102964134
3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
CID 114087272
3-amino-2-(4-methylpiperazin-1-yl)benzoic acid
CID 84698678
3-amino-2-(4-methylazepan-1-yl)benzoic acid
CID 112578959
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
CID 115935384
3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
CID 112579335
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
CID 113399437
3-amino-2-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 112578849

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(azetidin-1-yl)benzamide?
The IUPAC name of 3-amino-2-(azetidin-1-yl)benzamide (CID 130548096) is 3-amino-2-(azetidin-1-yl)benzamide.
What is the SMILES notation for 3-amino-2-(azetidin-1-yl)benzamide?
The canonical SMILES for 3-amino-2-(azetidin-1-yl)benzamide is NC(=O)c1cccc(N)c1N1CCC1.
What is the InChIKey of 3-amino-2-(azetidin-1-yl)benzamide?
The InChIKey is LKWYJPWHLYDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-4-1-3-7(10(12)14)9(8)13-5-2-6-13/h1,3-4H,2,5-6,11H2,(H2,12,14).
What are the key properties of 3-amino-2-(azetidin-1-yl)benzamide?
3-amino-2-(azetidin-1-yl)benzamide has a molecular weight of 191.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(azetidin-1-yl)benzamide is sourced from PubChem (CID 130548096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).