methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate

C23H32ClN3O3 — CID 70140070

IUPACmethyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate
SMILESCCN(C)CCN(CC)c1cc(C(=O)OC)c(Oc2c(C)cc(Cl)cc2C)nc1C
InChIInChI=1S/C23H32ClN3O3/c1-8-26(6)10-11-27(9-2)20-14-19(23(28)29-7)22(25-17(20)5)30-21-15(3)12-18(24)13-16(21)4/h12-14H,8-11H2,1-7H3
InChIKeyHBOCJZQPEIRLQM-UHFFFAOYSA-N
MW433.98 g/mol
LogP5.02
Rot. Bonds9

About methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate

methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate (PubChem CID 70140070) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate
PubChem CID70140070
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC Namemethyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate
SMILESCCN(C)CCN(CC)c1cc(C(=O)OC)c(Oc2c(C)cc(Cl)cc2C)nc1C
InChIInChI=1S/C23H32ClN3O3/c1-8-26(6)10-11-27(9-2)20-14-19(23(28)29-7)22(25-17(20)5)30-21-15(3)12-18(24)13-16(21)4/h12-14H,8-11H2,1-7H3
InChIKeyHBOCJZQPEIRLQM-UHFFFAOYSA-N
XLogP5.02
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.98
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate with MolForge

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Related Compounds

methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
CID 24806260
methyl 5-(1-hydroxybutan-2-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 151783478
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 2-[ethyl(propyl)amino]-5-formylbenzoate
CID 145007986
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide
CID 22596048
methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 121251044
dimethyl 6-chloro-8-fluoroquinoline-2,4-dicarboxylate
CID 118170889
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 2-amino-5-[3-(dimethylamino)propyl-ethylamino]-4-fluorobenzoate
CID 102995958

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate (CID 70140070) is methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate is CCN(C)CCN(CC)c1cc(C(=O)OC)c(Oc2c(C)cc(Cl)cc2C)nc1C.
What is the InChIKey of methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate?
The InChIKey is HBOCJZQPEIRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3/c1-8-26(6)10-11-27(9-2)20-14-19(23(28)29-7)22(25-17(20)5)30-21-15(3)12-18(24)13-16(21)4/h12-14H,8-11H2,1-7H3.
What are the key properties of methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate?
methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate has a molecular weight of 433.98 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2,6-dimethylphenoxy)-5-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 70140070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).