2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide

C14H22N4O — CID 61306295

IUPAC2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
SMILESCCN1CCC(CNc2ccc(N)c(C(N)=O)c2)C1
InChIInChI=1S/C14H22N4O/c1-2-18-6-5-10(9-18)8-17-11-3-4-13(15)12(7-11)14(16)19/h3-4,7,10,17H,2,5-6,8-9,15H2,1H3,(H2,16,19)
InChIKeyJZMHWAUCDNCTAQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide

2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide (PubChem CID 61306295) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
PubChem CID61306295
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
SMILESCCN1CCC(CNc2ccc(N)c(C(N)=O)c2)C1
InChIInChI=1S/C14H22N4O/c1-2-18-6-5-10(9-18)8-17-11-3-4-13(15)12(7-11)14(16)19/h3-4,7,10,17H,2,5-6,8-9,15H2,1H3,(H2,16,19)
InChIKeyJZMHWAUCDNCTAQ-UHFFFAOYSA-N
XLogP1.12
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzoic acid
CID 60989732
1-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 62911118
2-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 79466433
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
2-amino-5-[(1,1-dioxothiolan-3-yl)methylamino]benzamide
CID 62132713
4-[(1-ethylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 54927732
4-bromo-2-[(1-ethylpyrrolidin-3-yl)methylamino]benzenecarbothioamide
CID 114902832
2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
CID 153382151
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60855023
4-[(1-ethylpyrrolidin-3-yl)methylamino]-2-methylbenzonitrile
CID 81273896
2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
CID 115545622
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 60856715

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide?
The IUPAC name of 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide (CID 61306295) is 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide?
The canonical SMILES for 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide is CCN1CCC(CNc2ccc(N)c(C(N)=O)c2)C1.
What is the InChIKey of 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide?
The InChIKey is JZMHWAUCDNCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-18-6-5-10(9-18)8-17-11-3-4-13(15)12(7-11)14(16)19/h3-4,7,10,17H,2,5-6,8-9,15H2,1H3,(H2,16,19).
What are the key properties of 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide?
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 61306295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).