N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride

C15H24Cl2N4O2 — CID 154912466

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(C)CC(=O)Nc1cccc(NC(=O)C2CCCN2)c1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-19(2)10-14(20)17-11-5-3-6-12(9-11)18-15(21)13-7-4-8-16-13;;/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3,(H,17,20)(H,18,21);2*1H
InChIKeyKKMWWFNSLSAKEL-UHFFFAOYSA-N
MW363.29 g/mol
LogP1.72
Rot. Bonds5

About N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 154912466) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID154912466
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(C)CC(=O)Nc1cccc(NC(=O)C2CCCN2)c1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-19(2)10-14(20)17-11-5-3-6-12(9-11)18-15(21)13-7-4-8-16-13;;/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3,(H,17,20)(H,18,21);2*1H
InChIKeyKKMWWFNSLSAKEL-UHFFFAOYSA-N
XLogP1.72
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 146258006
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119883129
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 154912466) is N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride is CN(C)CC(=O)Nc1cccc(NC(=O)C2CCCN2)c1.Cl.Cl.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is KKMWWFNSLSAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.2ClH/c1-19(2)10-14(20)17-11-5-3-6-12(9-11)18-15(21)13-7-4-8-16-13;;/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3,(H,17,20)(H,18,21);2*1H.
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154912466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).