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

C12H17N3O2 — CID 103537154

IUPAC2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide
SMILESCOC1CCN(c2cccc(C(N)=O)c2N)C1
InChIInChI=1S/C12H17N3O2/c1-17-8-5-6-15(7-8)10-4-2-3-9(11(10)13)12(14)16/h2-4,8H,5-7,13H2,1H3,(H2,14,16)
InChIKeyFAGCXFKSPUSFCC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds3

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

2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide (PubChem CID 103537154) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide
PubChem CID103537154
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide
SMILESCOC1CCN(c2cccc(C(N)=O)c2N)C1
InChIInChI=1S/C12H17N3O2/c1-17-8-5-6-15(7-8)10-4-2-3-9(11(10)13)12(14)16/h2-4,8H,5-7,13H2,1H3,(H2,14,16)
InChIKeyFAGCXFKSPUSFCC-UHFFFAOYSA-N
XLogP0.59
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 115546054
2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide
CID 106673191
3-amino-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 103530522
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]benzoate
CID 113332952
methyl 2-amino-3-(4-methylpiperidin-1-yl)benzoate
CID 113332380
1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
CID 90124088
2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide
CID 115546282
2-amino-4-fluoro-5-(3-methoxypyrrolidin-1-yl)benzoic acid
CID 103537163
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 115546052
2-ethylsulfanyl-6-(3-methoxypyrrolidin-1-yl)benzoic acid
CID 103540183
2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide
CID 102964173
4-methoxy-2-(3-methoxypyrrolidin-1-yl)benzenecarbothioamide
CID 103533627

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide?
The IUPAC name of 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide (CID 103537154) is 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide.
What is the SMILES notation for 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide?
The canonical SMILES for 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide is COC1CCN(c2cccc(C(N)=O)c2N)C1.
What is the InChIKey of 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide?
The InChIKey is FAGCXFKSPUSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-8-5-6-15(7-8)10-4-2-3-9(11(10)13)12(14)16/h2-4,8H,5-7,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide?
2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide is sourced from PubChem (CID 103537154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).