N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide

C26H29N7O2 — CID 117092602

IUPACN-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide
SMILESCn1c(Nc2ccc(N3CCC(C(=O)NCCc4ccc(O)cc4)CC3)nn2)nc2ccccc21
InChIInChI=1S/C26H29N7O2/c1-32-22-5-3-2-4-21(22)28-26(32)29-23-10-11-24(31-30-23)33-16-13-19(14-17-33)25(35)27-15-12-18-6-8-20(34)9-7-18/h2-11,19,34H,12-17H2,1H3,(H,27,35)(H,28,29,30)
InChIKeyLBACFRSXENBONF-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 117092602) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID117092602
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide
SMILESCn1c(Nc2ccc(N3CCC(C(=O)NCCc4ccc(O)cc4)CC3)nn2)nc2ccccc21
InChIInChI=1S/C26H29N7O2/c1-32-22-5-3-2-4-21(22)28-26(32)29-23-10-11-24(31-30-23)33-16-13-19(14-17-33)25(35)27-15-12-18-6-8-20(34)9-7-18/h2-11,19,34H,12-17H2,1H3,(H,27,35)(H,28,29,30)
InChIKeyLBACFRSXENBONF-UHFFFAOYSA-N
XLogP3.39
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117091509
1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 117087106
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 71710226
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071849
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide
CID 22432514
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide (CID 117092602) is N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide is Cn1c(Nc2ccc(N3CCC(C(=O)NCCc4ccc(O)cc4)CC3)nn2)nc2ccccc21.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is LBACFRSXENBONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-32-22-5-3-2-4-21(22)28-26(32)29-23-10-11-24(31-30-23)33-16-13-19(14-17-33)25(35)27-15-12-18-6-8-20(34)9-7-18/h2-11,19,34H,12-17H2,1H3,(H,27,35)(H,28,29,30).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 117092602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).