[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate

C18H22ClN3O3 — CID 155004300

IUPAC[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1cnc(-c2ccncc2)cc1Cl)OC(N)=O
InChIInChI=1S/C18H22ClN3O3/c1-12(2)9-18(3,25-17(20)23)11-24-16-10-22-15(8-14(16)19)13-4-6-21-7-5-13/h4-8,10,12H,9,11H2,1-3H3,(H2,20,23)
InChIKeyJHRBWZXDOYXPOJ-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.08
Rot. Bonds7

About [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate

[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 155004300) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate
PubChem CID155004300
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1cnc(-c2ccncc2)cc1Cl)OC(N)=O
InChIInChI=1S/C18H22ClN3O3/c1-12(2)9-18(3,25-17(20)23)11-24-16-10-22-15(8-14(16)19)13-4-6-21-7-5-13/h4-8,10,12H,9,11H2,1-3H3,(H2,20,23)
InChIKeyJHRBWZXDOYXPOJ-UHFFFAOYSA-N
XLogP4.08
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate with MolForge

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Related Compounds

4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
CID 150370518
[1-[2-chloro-4-(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 175150828
[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 150180447
[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 175069658
[2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-yl] carbamate
CID 151896827
[1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate
CID 175149750
[1-[2-cyano-4-(6-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 151300567
[1-(4-bromo-2,5-difluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate
CID 150622465
[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420142
[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate
CID 175077034
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
CID 118420360
[1-[2-cyano-4-(2-formylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 150767648

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate (CID 155004300) is [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate is CC(C)CC(C)(COc1cnc(-c2ccncc2)cc1Cl)OC(N)=O.
What is the InChIKey of [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is JHRBWZXDOYXPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-12(2)9-18(3,25-17(20)23)11-24-16-10-22-15(8-14(16)19)13-4-6-21-7-5-13/h4-8,10,12H,9,11H2,1-3H3,(H2,20,23).
What are the key properties of [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate?
[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 363.85 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 155004300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).