4-amino-3-pyrrolidin-1-ylbenzamide

C11H15N3O — CID 63355693

IUPAC4-amino-3-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N)c(N2CCCC2)c1
InChIInChI=1S/C11H15N3O/c12-9-4-3-8(11(13)15)7-10(9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15)
InChIKeyCXSJNGITIMPKOT-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.97
Rot. Bonds2

About 4-amino-3-pyrrolidin-1-ylbenzamide

4-amino-3-pyrrolidin-1-ylbenzamide (PubChem CID 63355693) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-amino-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-amino-3-pyrrolidin-1-ylbenzamide
PubChem CID63355693
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-amino-3-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N)c(N2CCCC2)c1
InChIInChI=1S/C11H15N3O/c12-9-4-3-8(11(13)15)7-10(9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15)
InChIKeyCXSJNGITIMPKOT-UHFFFAOYSA-N
XLogP0.97
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.97
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

4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
CID 63356536
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide
CID 63356577
4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
CID 63356184
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
CID 63356660
3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
CID 65283334
4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
CID 81199317
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-4-piperidin-1-ylbenzamide
CID 2927866
4-pyrrolidin-1-ylisoquinoline-6-carboxamide
CID 58495819

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-amino-3-pyrrolidin-1-ylbenzamide (CID 63355693) is 4-amino-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-amino-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-amino-3-pyrrolidin-1-ylbenzamide is NC(=O)c1ccc(N)c(N2CCCC2)c1.
What is the InChIKey of 4-amino-3-pyrrolidin-1-ylbenzamide?
The InChIKey is CXSJNGITIMPKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-9-4-3-8(11(13)15)7-10(9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15).
What are the key properties of 4-amino-3-pyrrolidin-1-ylbenzamide?
4-amino-3-pyrrolidin-1-ylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 63355693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).