dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate

C19H23NO5 — CID 758730

IUPACdimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1OC(C)C
InChIInChI=1S/C19H23NO5/c1-12(2)25-16-9-7-6-8-13(16)17-14(18(21)23-4)10-20(3)11-15(17)19(22)24-5/h6-12,17H,1-5H3
InChIKeyIBFGZUKTBGXAQZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.62
Rot. Bonds5

About dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 758730) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID758730
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namedimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1OC(C)C
InChIInChI=1S/C19H23NO5/c1-12(2)25-16-9-7-6-8-13(16)17-14(18(21)23-4)10-20(3)11-15(17)19(22)24-5/h6-12,17H,1-5H3
InChIKeyIBFGZUKTBGXAQZ-UHFFFAOYSA-N
XLogP2.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 1-(1-adamantyl)-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2927192
dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
CID 2897941
dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2172343
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758715
dimethyl 4-(2-bromophenyl)-1-butyl-4H-pyridine-3,5-dicarboxylate
CID 2194715
dimethyl 4-(2-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-pyridine-3,5-dicarboxylate
CID 1201776
dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 610953
dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1305328
dimethyl 1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1262591
dimethyl 1-butyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2195084
methyl (4R)-6-methyl-4-(2-propan-2-yloxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1122262
dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1094439

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 758730) is dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1OC(C)C.
What is the InChIKey of dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is IBFGZUKTBGXAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(2)25-16-9-7-6-8-13(16)17-14(18(21)23-4)10-20(3)11-15(17)19(22)24-5/h6-12,17H,1-5H3.
What are the key properties of dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 758730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).