4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide

C23H32ClN3O3 — CID 123775700

IUPAC4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide
SMILESCCC(NCCc1ccc(C(=O)N(C)CC(C)OC)cc1)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C23H32ClN3O3/c1-5-20(22(28)19-10-11-21(24)26-14-19)25-13-12-17-6-8-18(9-7-17)23(29)27(3)15-16(2)30-4/h6-11,14,16,20,22,25,28H,5,12-13,15H2,1-4H3
InChIKeyLZIYTZXQAFKZCT-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.49
Rot. Bonds11

About 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide

4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide (PubChem CID 123775700) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide
PubChem CID123775700
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC Name4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide
SMILESCCC(NCCc1ccc(C(=O)N(C)CC(C)OC)cc1)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C23H32ClN3O3/c1-5-20(22(28)19-10-11-21(24)26-14-19)25-13-12-17-6-8-18(9-7-17)23(29)27(3)15-16(2)30-4/h6-11,14,16,20,22,25,28H,5,12-13,15H2,1-4H3
InChIKeyLZIYTZXQAFKZCT-UHFFFAOYSA-N
XLogP3.49
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide 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-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
CID 115728798
4-[2-[[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-[(3-ethoxy-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 139419356
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
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
4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
CID 123180607
5-[4-[2-[[(1R)-1-(6-chloro-3-pyridinyl)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenyl]sulfonyl-N-ethyl-2-phenylmethoxybenzamide
CID 87967671
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 140543896
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710
4-(chloromethyl)-N-(2,2-dimethoxyethyl)-N-methylbenzamide
CID 169090050

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide?
The IUPAC name of 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide (CID 123775700) is 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide is CCC(NCCc1ccc(C(=O)N(C)CC(C)OC)cc1)C(O)c1ccc(Cl)nc1.
What is the InChIKey of 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide?
The InChIKey is LZIYTZXQAFKZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3/c1-5-20(22(28)19-10-11-21(24)26-14-19)25-13-12-17-6-8-18(9-7-17)23(29)27(3)15-16(2)30-4/h6-11,14,16,20,22,25,28H,5,12-13,15H2,1-4H3.
What are the key properties of 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide?
4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide has a molecular weight of 433.98 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(6-chloro-3-pyridinyl)-1-hydroxybutan-2-yl]amino]ethyl]-N-(2-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 123775700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).