1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

C17H26Cl2N4O2 — CID 119856251

IUPAC1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCCN1Cc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C17H24N4O2.2ClH/c18-16(22)15-7-3-9-21(15)11-12-4-1-5-13(10-12)20-17(23)14-6-2-8-19-14;;/h1,4-5,10,14-15,19H,2-3,6-9,11H2,(H2,18,22)(H,20,23);2*1H
InChIKeyNEESNVPNXNIUQY-UHFFFAOYSA-N
MW389.33 g/mol
LogP1.67
Rot. Bonds5

About 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119856251) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119856251
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCCN1Cc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C17H24N4O2.2ClH/c18-16(22)15-7-3-9-21(15)11-12-4-1-5-13(10-12)20-17(23)14-6-2-8-19-14;;/h1,4-5,10,14-15,19H,2-3,6-9,11H2,(H2,18,22)(H,20,23);2*1H
InChIKeyNEESNVPNXNIUQY-UHFFFAOYSA-N
XLogP1.67
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119856261
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169
1-[[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120939593

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119856251) is 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CCCN1Cc1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is NEESNVPNXNIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c18-16(22)15-7-3-9-21(15)11-12-4-1-5-13(10-12)20-17(23)14-6-2-8-19-14;;/h1,4-5,10,14-15,19H,2-3,6-9,11H2,(H2,18,22)(H,20,23);2*1H.
What are the key properties of 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119856251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).