[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid

C19H24ClN3O3 — CID 118420142

IUPAC[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(-c2cc(Cl)c(OCC(C)CC(C)(C)NC(=O)O)cn2)ccn1
InChIInChI=1S/C19H24ClN3O3/c1-12(9-19(3,4)23-18(24)25)11-26-17-10-22-16(8-15(17)20)14-5-6-21-13(2)7-14/h5-8,10,12,23H,9,11H2,1-4H3,(H,24,25)
InChIKeyGGUGAMHQETVZGU-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.56
Rot. Bonds7

About [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid

[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid (PubChem CID 118420142) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
PubChem CID118420142
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(-c2cc(Cl)c(OCC(C)CC(C)(C)NC(=O)O)cn2)ccn1
InChIInChI=1S/C19H24ClN3O3/c1-12(9-19(3,4)23-18(24)25)11-26-17-10-22-16(8-15(17)20)14-5-6-21-13(2)7-14/h5-8,10,12,23H,9,11H2,1-4H3,(H,24,25)
InChIKeyGGUGAMHQETVZGU-UHFFFAOYSA-N
XLogP4.56
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420311
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
CID 150370518
[5-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420070
[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate
CID 155004300
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
[1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419779
[(4S)-2,4-dimethyl-5-[4-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamic acid
CID 135284640
5-[[4-chloro-6-(6-chloroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420173
[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135283054
methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate
CID 54544468
[5-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419963

Frequently Asked Questions

What is the IUPAC name of [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The IUPAC name of [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid (CID 118420142) is [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid.
What is the SMILES notation for [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The canonical SMILES for [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid is Cc1cc(-c2cc(Cl)c(OCC(C)CC(C)(C)NC(=O)O)cn2)ccn1.
What is the InChIKey of [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The InChIKey is GGUGAMHQETVZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-12(9-19(3,4)23-18(24)25)11-26-17-10-22-16(8-15(17)20)14-5-6-21-13(2)7-14/h5-8,10,12,23H,9,11H2,1-4H3,(H,24,25).
What are the key properties of [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid has a molecular weight of 377.87 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid is sourced from PubChem (CID 118420142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).