[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride

C43H42Cl3N3O5 — CID 158204197

IUPAC[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
SMILESCCNC(=O)OCc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2)cn1.COc1ccc(Cc2ccc(CO)nc2)cc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C23H23ClN2O3.C20H18ClNO2.ClH/c1-3-25-23(27)29-15-20-9-7-17(14-26-20)11-16-8-10-22(28-2)21(12-16)18-5-4-6-19(24)13-18;1-24-20-8-6-14(9-15-5-7-18(13-23)22-12-15)10-19(20)16-3-2-4-17(21)11-16;/h4-10,12-14H,3,11,15H2,1-2H3,(H,25,27);2-8,10-12,23H,9,13H2,1H3;1H
InChIKeyUAFXVEZCBZQMOF-UHFFFAOYSA-N
MW787.18 g/mol
LogP10.16
Rot. Bonds12

About [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride

[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride (PubChem CID 158204197) has the molecular formula C43H42Cl3N3O5 and a molecular weight of 787.18 g/mol. Its IUPAC name is [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
PubChem CID158204197
Molecular FormulaC43H42Cl3N3O5
Molecular Weight787.18 g/mol
Exact Mass785.22
IUPAC Name[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
SMILESCCNC(=O)OCc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2)cn1.COc1ccc(Cc2ccc(CO)nc2)cc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C23H23ClN2O3.C20H18ClNO2.ClH/c1-3-25-23(27)29-15-20-9-7-17(14-26-20)11-16-8-10-22(28-2)21(12-16)18-5-4-6-19(24)13-18;1-24-20-8-6-14(9-15-5-7-18(13-23)22-12-15)10-19(20)16-3-2-4-17(21)11-16;/h4-10,12-14H,3,11,15H2,1-2H3,(H,25,27);2-8,10-12,23H,9,13H2,1H3;1H
InChIKeyUAFXVEZCBZQMOF-UHFFFAOYSA-N
XLogP10.16
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.18
LogP ≤ 510.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride with MolForge

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Related Compounds

[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
CID 58020299
1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one
CID 46213060
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-[(2R)-2-hydroperoxypyrrolidin-1-yl]pyridine
CID 143810453
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
CID 167694406
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane
CID 159916668
1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea
CID 70231179

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride?
The IUPAC name of [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride (CID 158204197) is [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride.
What is the SMILES notation for [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride?
The canonical SMILES for [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride is CCNC(=O)OCc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2)cn1.COc1ccc(Cc2ccc(CO)nc2)cc1-c1cccc(Cl)c1.Cl.
What is the InChIKey of [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride?
The InChIKey is UAFXVEZCBZQMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3.C20H18ClNO2.ClH/c1-3-25-23(27)29-15-20-9-7-17(14-26-20)11-16-8-10-22(28-2)21(12-16)18-5-4-6-19(24)13-18;1-24-20-8-6-14(9-15-5-7-18(13-23)22-12-15)10-19(20)16-3-2-4-17(21)11-16;/h4-10,12-14H,3,11,15H2,1-2H3,(H,25,27);2-8,10-12,23H,9,13H2,1H3;1H.
What are the key properties of [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride?
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride has a molecular weight of 787.18 g/mol, XLogP of 10.16, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride is sourced from PubChem (CID 158204197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).