N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride

C18H22Cl2N4O2 — CID 119864785

IUPACN-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccncc1)c1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C18H20N4O2.2ClH/c23-17(15-5-8-20-12-15)21-11-13-1-3-14(4-2-13)18(24)22-16-6-9-19-10-7-16;;/h1-4,6-7,9-10,15,20H,5,8,11-12H2,(H,21,23)(H,19,22,24);2*1H
InChIKeyIJQONGDOSGXTAC-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.40
Rot. Bonds5

About N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119864785) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119864785
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC NameN-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccncc1)c1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C18H20N4O2.2ClH/c23-17(15-5-8-20-12-15)21-11-13-1-3-14(4-2-13)18(24)22-16-6-9-19-10-7-16;;/h1-4,6-7,9-10,15,20H,5,8,11-12H2,(H,21,23)(H,19,22,24);2*1H
InChIKeyIJQONGDOSGXTAC-UHFFFAOYSA-N
XLogP2.40
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-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-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
2,2-difluoro-N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]spiro[2.5]octane-7-carboxamide
CID 166292398
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119730381
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119838492

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119864785) is N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccncc1)c1ccc(CNC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is IJQONGDOSGXTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.2ClH/c23-17(15-5-8-20-12-15)21-11-13-1-3-14(4-2-13)18(24)22-16-6-9-19-10-7-16;;/h1-4,6-7,9-10,15,20H,5,8,11-12H2,(H,21,23)(H,19,22,24);2*1H.
What are the key properties of N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 397.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119864785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).