N-methyl-4-(pyrrolidin-3-ylamino)benzamide

C12H17N3O — CID 79723972

IUPACN-methyl-4-(pyrrolidin-3-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC2CCNC2)cc1
InChIInChI=1S/C12H17N3O/c1-13-12(16)9-2-4-10(5-3-9)15-11-6-7-14-8-11/h2-5,11,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyVGWAWUVWPCHLRL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.82
Rot. Bonds3

About N-methyl-4-(pyrrolidin-3-ylamino)benzamide

N-methyl-4-(pyrrolidin-3-ylamino)benzamide (PubChem CID 79723972) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-4-(pyrrolidin-3-ylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(pyrrolidin-3-ylamino)benzamide
PubChem CID79723972
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-4-(pyrrolidin-3-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC2CCNC2)cc1
InChIInChI=1S/C12H17N3O/c1-13-12(16)9-2-4-10(5-3-9)15-11-6-7-14-8-11/h2-5,11,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyVGWAWUVWPCHLRL-UHFFFAOYSA-N
XLogP0.82
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
N-(2-aminophenyl)-4-[[(3S)-pyrrolidin-3-yl]amino]benzamide;methane
CID 160904181
4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
CID 152830437
4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
CID 152949444
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(pyrrolidin-3-ylamino)benzamide?
The IUPAC name of N-methyl-4-(pyrrolidin-3-ylamino)benzamide (CID 79723972) is N-methyl-4-(pyrrolidin-3-ylamino)benzamide.
What is the SMILES notation for N-methyl-4-(pyrrolidin-3-ylamino)benzamide?
The canonical SMILES for N-methyl-4-(pyrrolidin-3-ylamino)benzamide is CNC(=O)c1ccc(NC2CCNC2)cc1.
What is the InChIKey of N-methyl-4-(pyrrolidin-3-ylamino)benzamide?
The InChIKey is VGWAWUVWPCHLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-13-12(16)9-2-4-10(5-3-9)15-11-6-7-14-8-11/h2-5,11,14-15H,6-8H2,1H3,(H,13,16).
What are the key properties of N-methyl-4-(pyrrolidin-3-ylamino)benzamide?
N-methyl-4-(pyrrolidin-3-ylamino)benzamide has a molecular weight of 219.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(pyrrolidin-3-ylamino)benzamide is sourced from PubChem (CID 79723972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).