3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide

C14H22N4O — CID 112579335

IUPAC3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
SMILESCC1CN(c2c(N)cccc2C(N)=O)CC1N(C)C
InChIInChI=1S/C14H22N4O/c1-9-7-18(8-12(9)17(2)3)13-10(14(16)19)5-4-6-11(13)15/h4-6,9,12H,7-8,15H2,1-3H3,(H2,16,19)
InChIKeySXMSXIBHVXJWBV-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.75
Rot. Bonds3

About 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide

3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide (PubChem CID 112579335) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
PubChem CID112579335
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
SMILESCC1CN(c2c(N)cccc2C(N)=O)CC1N(C)C
InChIInChI=1S/C14H22N4O/c1-9-7-18(8-12(9)17(2)3)13-10(14(16)19)5-4-6-11(13)15/h4-6,9,12H,7-8,15H2,1-3H3,(H2,16,19)
InChIKeySXMSXIBHVXJWBV-UHFFFAOYSA-N
XLogP0.75
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.75
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

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-(azetidin-1-yl)benzamide
CID 130548096
5-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 114090484
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
CID 113399437
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzoate
CID 115546701
2-amino-6-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]benzoic acid
CID 104824818
3-amino-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzamide
CID 115935111
3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide
CID 112578510
(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81458828
3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
CID 114087272
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 81464986

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide?
The IUPAC name of 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide (CID 112579335) is 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide.
What is the SMILES notation for 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide?
The canonical SMILES for 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide is CC1CN(c2c(N)cccc2C(N)=O)CC1N(C)C.
What is the InChIKey of 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide?
The InChIKey is SXMSXIBHVXJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-7-18(8-12(9)17(2)3)13-10(14(16)19)5-4-6-11(13)15/h4-6,9,12H,7-8,15H2,1-3H3,(H2,16,19).
What are the key properties of 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide?
3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide is sourced from PubChem (CID 112579335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).