ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate

C19H23NO4 — CID 70178605

IUPACethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate
SMILESCCCCn1ccc(-c2cccc(OC)c2)c(C(=O)OCC)c1=O
InChIInChI=1S/C19H23NO4/c1-4-6-11-20-12-10-16(14-8-7-9-15(13-14)23-3)17(18(20)21)19(22)24-5-2/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyMWZIFZNUHZJPFF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.50
Rot. Bonds7

About ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate

ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate (PubChem CID 70178605) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate
PubChem CID70178605
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate
SMILESCCCCn1ccc(-c2cccc(OC)c2)c(C(=O)OCC)c1=O
InChIInChI=1S/C19H23NO4/c1-4-6-11-20-12-10-16(14-8-7-9-15(13-14)23-3)17(18(20)21)19(22)24-5-2/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyMWZIFZNUHZJPFF-UHFFFAOYSA-N
XLogP3.50
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
CID 10779697
1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82120079
ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate
CID 101491148
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63950822
ethyl 5-(3-methoxyphenyl)-1-methyltriazole-4-carboxylate
CID 103105602
ethyl 5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182741
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3482605
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
CID 162671245
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162671244

Frequently Asked Questions

What is the IUPAC name of ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate (CID 70178605) is ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate is CCCCn1ccc(-c2cccc(OC)c2)c(C(=O)OCC)c1=O.
What is the InChIKey of ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate?
The InChIKey is MWZIFZNUHZJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-6-11-20-12-10-16(14-8-7-9-15(13-14)23-3)17(18(20)21)19(22)24-5-2/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate?
ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 70178605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).