5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid

C19H21NO4 — CID 10853649

IUPAC5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)O)c1CC
InChIInChI=1S/C19H21NO4/c1-4-13-15(18(21)22)14(5-2)20-17(12-10-8-7-9-11-12)16(13)19(23)24-6-3/h7-11H,4-6H2,1-3H3,(H,21,22)
InChIKeyTWAOUXRQKWVNOD-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.75
Rot. Bonds6

About 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid

5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid (PubChem CID 10853649) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
PubChem CID10853649
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)O)c1CC
InChIInChI=1S/C19H21NO4/c1-4-13-15(18(21)22)14(5-2)20-17(12-10-8-7-9-11-12)16(13)19(23)24-6-3/h7-11H,4-6H2,1-3H3,(H,21,22)
InChIKeyTWAOUXRQKWVNOD-UHFFFAOYSA-N
XLogP3.75
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate
CID 10573020
CID 154709525
CID 154709525
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 4-pentyl-2-phenylquinoline-3-carboxylate
CID 45141730
ethyl 1-phenyl-3-prop-2-enylisoquinoline-4-carboxylate
CID 102482698
ethyl 2-(3-hydroxypropylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 53306075
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
3-fluoropropyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
CID 10811905

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid (CID 10853649) is 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid is CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)O)c1CC.
What is the InChIKey of 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid?
The InChIKey is TWAOUXRQKWVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-13-15(18(21)22)14(5-2)20-17(12-10-8-7-9-11-12)16(13)19(23)24-6-3/h7-11H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid?
5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 10853649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).