2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide

C13H19N3O — CID 81279435

IUPAC2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
SMILESCc1cc(N(C)C2CCNC2)ccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-7-10(3-4-12(9)13(14)17)16(2)11-5-6-15-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H2,14,17)
InChIKeyZTVYETQHJQHBDO-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.89
Rot. Bonds3

About 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide

2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide (PubChem CID 81279435) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
PubChem CID81279435
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
SMILESCc1cc(N(C)C2CCNC2)ccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-7-10(3-4-12(9)13(14)17)16(2)11-5-6-15-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H2,14,17)
InChIKeyZTVYETQHJQHBDO-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
CID 81279279
4-[cycloheptyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81277092
N-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidin-3-amine
CID 63301254
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
CID 81274144
4-[(4,4-dimethylcyclohexyl)-methylamino]-2-methylbenzenecarbothioamide
CID 81278074
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
2,4-dimethyl-3-[[methyl(piperidin-4-yl)amino]methyl]benzamide
CID 175533700
5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide
CID 169224228
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide (CID 81279435) is 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide is Cc1cc(N(C)C2CCNC2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide?
The InChIKey is ZTVYETQHJQHBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-10(3-4-12(9)13(14)17)16(2)11-5-6-15-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H2,14,17).
What are the key properties of 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide?
2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 81279435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).