N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide

C15H23N3O — CID 119842564

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)C2CCNC2)c1
InChIInChI=1S/C15H23N3O/c1-18(2)11-13-5-3-4-12(8-13)9-17-15(19)14-6-7-16-10-14/h3-5,8,14,16H,6-7,9-11H2,1-2H3,(H,17,19)
InChIKeyQMHWYUBCZSHPAQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.97
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide

N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119842564) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119842564
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)C2CCNC2)c1
InChIInChI=1S/C15H23N3O/c1-18(2)11-13-5-3-4-12(8-13)9-17-15(19)14-6-7-16-10-14/h3-5,8,14,16H,6-7,9-11H2,1-2H3,(H,17,19)
InChIKeyQMHWYUBCZSHPAQ-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide (CID 119842564) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide is CN(C)Cc1cccc(CNC(=O)C2CCNC2)c1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is QMHWYUBCZSHPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)11-13-5-3-4-12(8-13)9-17-15(19)14-6-7-16-10-14/h3-5,8,14,16H,6-7,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119842564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).