N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide

C25H29N5O3 — CID 168740581

IUPACN-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1OCCc1ccc(CNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C25H29N5O3/c26-24-23(15-21(29-30-24)20-3-1-2-4-22(20)31)33-14-11-17-5-7-18(8-6-17)16-28-25(32)19-9-12-27-13-10-19/h1-8,15,19,27,31H,9-14,16H2,(H2,26,30)(H,28,32)
InChIKeyWFWOYVXVXWLETH-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.67
Rot. Bonds8

About N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide

N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 168740581) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID168740581
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1OCCc1ccc(CNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C25H29N5O3/c26-24-23(15-21(29-30-24)20-3-1-2-4-22(20)31)33-14-11-17-5-7-18(8-6-17)16-28-25(32)19-9-12-27-13-10-19/h1-8,15,19,27,31H,9-14,16H2,(H2,26,30)(H,28,32)
InChIKeyWFWOYVXVXWLETH-UHFFFAOYSA-N
XLogP2.67
TPSA122.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide 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

[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]-(3-piperidin-4-ylazetidin-1-yl)methanone
CID 156886201
tert-butyl N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]-N-methylcarbamate
CID 156886458
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanamide
CID 168740565
N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pentanediamide
CID 168740545
4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 168740549
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
4-[5-[[4-[2-[3-amino-6-(5-fluoro-2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methylamino]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168740589
(2S,4R)-1-[(2S)-2-[10-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methylamino]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 156886197
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
2-[6-amino-5-[2-[4-[[methyl-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]oxy]ethyl]amino]methyl]phenyl]ethoxy]pyridazin-3-yl]phenol
CID 170177939

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide (CID 168740581) is N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide is Nc1nnc(-c2ccccc2O)cc1OCCc1ccc(CNC(=O)C2CCNCC2)cc1.
What is the InChIKey of N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is WFWOYVXVXWLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c26-24-23(15-21(29-30-24)20-3-1-2-4-22(20)31)33-14-11-17-5-7-18(8-6-17)16-28-25(32)19-9-12-27-13-10-19/h1-8,15,19,27,31H,9-14,16H2,(H2,26,30)(H,28,32).
What are the key properties of N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide?
N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.67, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 168740581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).