3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide

C13H20N4O — CID 62976085

IUPAC3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
SMILESCN(CCNc1ccc(C(N)=O)cc1N)C1CC1
InChIInChI=1S/C13H20N4O/c1-17(10-3-4-10)7-6-16-12-5-2-9(13(15)18)8-11(12)14/h2,5,8,10,16H,3-4,6-7,14H2,1H3,(H2,15,18)
InChIKeyPXURDQPYSLBFIW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.87
Rot. Bonds6

About 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide

3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide (PubChem CID 62976085) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
PubChem CID62976085
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
SMILESCN(CCNc1ccc(C(N)=O)cc1N)C1CC1
InChIInChI=1S/C13H20N4O/c1-17(10-3-4-10)7-6-16-12-5-2-9(13(15)18)8-11(12)14/h2,5,8,10,16H,3-4,6-7,14H2,1H3,(H2,15,18)
InChIKeyPXURDQPYSLBFIW-UHFFFAOYSA-N
XLogP0.87
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.87
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

3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
CID 63314897
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
4-[2-[cyclopropyl(methyl)amino]ethylamino]-3-fluorobenzenecarbothioamide
CID 62979755
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
2-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-4-fluorobenzoic acid
CID 62978741
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(3-methylsulfinylpropylamino)benzamide
CID 113487205

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide?
The IUPAC name of 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide (CID 62976085) is 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide.
What is the SMILES notation for 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide?
The canonical SMILES for 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide is CN(CCNc1ccc(C(N)=O)cc1N)C1CC1.
What is the InChIKey of 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide?
The InChIKey is PXURDQPYSLBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(10-3-4-10)7-6-16-12-5-2-9(13(15)18)8-11(12)14/h2,5,8,10,16H,3-4,6-7,14H2,1H3,(H2,15,18).
What are the key properties of 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide?
3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide has a molecular weight of 248.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide is sourced from PubChem (CID 62976085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).