methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate

C14H21NO3 — CID 145106317

IUPACmethyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate
SMILESCCOc1ccnc(C(C)(C)CC)c1C(=O)OC
InChIInChI=1S/C14H21NO3/c1-6-14(3,4)12-11(13(16)17-5)10(18-7-2)8-9-15-12/h8-9H,6-7H2,1-5H3
InChIKeyWYCOEEKTXIMWDQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.95
Rot. Bonds5

About methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate

methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate (PubChem CID 145106317) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate
PubChem CID145106317
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate
SMILESCCOc1ccnc(C(C)(C)CC)c1C(=O)OC
InChIInChI=1S/C14H21NO3/c1-6-14(3,4)12-11(13(16)17-5)10(18-7-2)8-9-15-12/h8-9H,6-7H2,1-5H3
InChIKeyWYCOEEKTXIMWDQ-UHFFFAOYSA-N
XLogP2.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate
CID 59553883
methyl 2-amino-4-methoxypyridine-3-carboxylate
CID 131557944
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
CID 167762348
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
methyl 4-tert-butyl-2-methylpyridine-3-carboxylate
CID 118506573
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate
CID 67071349
methyl 2-ethoxy-4-[1-[2-(3-ethoxy-4-methoxycarbonylphenyl)-2-methylpropoxy]carbonyloxy-2-methylpropan-2-yl]benzoate
CID 90688610

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate (CID 145106317) is methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate is CCOc1ccnc(C(C)(C)CC)c1C(=O)OC.
What is the InChIKey of methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate?
The InChIKey is WYCOEEKTXIMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-14(3,4)12-11(13(16)17-5)10(18-7-2)8-9-15-12/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate?
methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 145106317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).