sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide

C22H23N4NaO — CID 145473548

IUPACsodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1.[Na+].[c-]1ccncc1
InChIInChI=1S/C17H19N3O.C5H4N.Na/c18-15-5-1-2-6-16(15)19-17(21)13-7-9-14(10-8-13)20-11-3-4-12-20;1-2-4-6-5-3-1;/h1-2,5-10H,3-4,11-12,18H2,(H,19,21);2-5H;/q;-1;+1
InChIKeyZFFVHGMZPUWIEU-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.01
Rot. Bonds3

About sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide

sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide (PubChem CID 145473548) has the molecular formula C22H23N4NaO and a molecular weight of 382.44 g/mol. Its IUPAC name is sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide.

Molecular Properties

Compound Namesodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide
PubChem CID145473548
Molecular FormulaC22H23N4NaO
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Namesodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1.[Na+].[c-]1ccncc1
InChIInChI=1S/C17H19N3O.C5H4N.Na/c18-15-5-1-2-6-16(15)19-17(21)13-7-9-14(10-8-13)20-11-3-4-12-20;1-2-4-6-5-3-1;/h1-2,5-10H,3-4,11-12,18H2,(H,19,21);2-5H;/q;-1;+1
InChIKeyZFFVHGMZPUWIEU-UHFFFAOYSA-N
XLogP1.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate
CID 10662925
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-(2,3-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282361
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 23857873
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268626

Frequently Asked Questions

What is the IUPAC name of sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide?
The IUPAC name of sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide (CID 145473548) is sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide.
What is the SMILES notation for sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide?
The canonical SMILES for sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide is Nc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1.[Na+].[c-]1ccncc1.
What is the InChIKey of sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide?
The InChIKey is ZFFVHGMZPUWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.C5H4N.Na/c18-15-5-1-2-6-16(15)19-17(21)13-7-9-14(10-8-13)20-11-3-4-12-20;1-2-4-6-5-3-1;/h1-2,5-10H,3-4,11-12,18H2,(H,19,21);2-5H;/q;-1;+1.
What are the key properties of sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide?
sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide has a molecular weight of 382.44 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide is sourced from PubChem (CID 145473548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).