4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide

C23H26ClN5O2 — CID 123180607

IUPAC4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
SMILESCC(c1cnccn1)N(C)C(=O)c1ccc(CCNCC(O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C23H26ClN5O2/c1-16(20-14-26-11-12-27-20)29(2)23(31)18-5-3-17(4-6-18)9-10-25-15-21(30)19-7-8-22(24)28-13-19/h3-8,11-14,16,21,25,30H,9-10,15H2,1-2H3
InChIKeyGYVXSXFSSYOTTM-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.22
Rot. Bonds9

About 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide

4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide (PubChem CID 123180607) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
PubChem CID123180607
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
SMILESCC(c1cnccn1)N(C)C(=O)c1ccc(CCNCC(O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C23H26ClN5O2/c1-16(20-14-26-11-12-27-20)29(2)23(31)18-5-3-17(4-6-18)9-10-25-15-21(30)19-7-8-22(24)28-13-19/h3-8,11-14,16,21,25,30H,9-10,15H2,1-2H3
InChIKeyGYVXSXFSSYOTTM-UHFFFAOYSA-N
XLogP3.22
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide 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-[[(2S,5R)-5-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
CID 118003415
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methylbenzamide
CID 123145441
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008
4-[2-[(2-hydroxy-2-phenylethyl)amino]pent-4-enyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
CID 123665552
4-[2-[[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-[(3-ethoxy-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 139419356
4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 123270984
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 123984244
[1-amino-2-[[4-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]ethyl]benzoyl]-methylamino]propyl] N-methylcarbamate;ethane
CID 144821992
2-hydroxy-4-[2-[[2-hydroxy-2-[4-[methyl(propan-2-yl)carbamoyl]phenyl]ethyl]amino]ethyl]benzoic acid
CID 70463744
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87975327
4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide
CID 123775700
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-[(5-methyl-3-pyridinyl)methyl]benzamide
CID 144821842

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide?
The IUPAC name of 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide (CID 123180607) is 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide?
The canonical SMILES for 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide is CC(c1cnccn1)N(C)C(=O)c1ccc(CCNCC(O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide?
The InChIKey is GYVXSXFSSYOTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-16(20-14-26-11-12-27-20)29(2)23(31)18-5-3-17(4-6-18)9-10-25-15-21(30)19-7-8-22(24)28-13-19/h3-8,11-14,16,21,25,30H,9-10,15H2,1-2H3.
What are the key properties of 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide?
4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide has a molecular weight of 439.95 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide is sourced from PubChem (CID 123180607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).