N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide

C13H19N3O — CID 79731257

IUPACN,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide
SMILESCN(C)C(=O)c1ccccc1NC1CCNC1
InChIInChI=1S/C13H19N3O/c1-16(2)13(17)11-5-3-4-6-12(11)15-10-7-8-14-9-10/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyYUNUDSQIFPAXHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.16
Rot. Bonds3

About N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide

N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide (PubChem CID 79731257) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide
PubChem CID79731257
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide
SMILESCN(C)C(=O)c1ccccc1NC1CCNC1
InChIInChI=1S/C13H19N3O/c1-16(2)13(17)11-5-3-4-6-12(11)15-10-7-8-14-9-10/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyYUNUDSQIFPAXHT-UHFFFAOYSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 122441446
N,N-dimethyl-2-(thian-4-ylamino)benzamide
CID 43738379
2-[(3-aminocyclopentyl)amino]-N,N-dimethylbenzamide
CID 79462007
2-(piperidin-3-ylamino)benzamide
CID 63319381
2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
CID 65083577
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide
CID 79731342
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
N-(2-bromophenyl)pyrrolidin-3-amine
CID 66545624
3-chloro-2-N,2-N-dimethyl-1-N-pyrrolidin-3-ylbenzene-1,2-diamine
CID 79730840
N-(2-propylsulfonylphenyl)pyrrolidin-3-amine
CID 62380993
2-[(2,2-dimethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 79860587

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide?
The IUPAC name of N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide (CID 79731257) is N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide?
The canonical SMILES for N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide is CN(C)C(=O)c1ccccc1NC1CCNC1.
What is the InChIKey of N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide?
The InChIKey is YUNUDSQIFPAXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)13(17)11-5-3-4-6-12(11)15-10-7-8-14-9-10/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide?
N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide is sourced from PubChem (CID 79731257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).