butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C18H23NO4 — CID 3236410

IUPACbutan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCC(C)OC(=O)C1=C(C)NC(=O)CC1c1ccccc1OC
InChIInChI=1S/C18H23NO4/c1-5-11(2)23-18(21)17-12(3)19-16(20)10-14(17)13-8-6-7-9-15(13)22-4/h6-9,11,14H,5,10H2,1-4H3,(H,19,20)
InChIKeyMOOCTZBECICCOY-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.91
Rot. Bonds5

About butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 3236410) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID3236410
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Namebutan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCC(C)OC(=O)C1=C(C)NC(=O)CC1c1ccccc1OC
InChIInChI=1S/C18H23NO4/c1-5-11(2)23-18(21)17-12(3)19-16(20)10-14(17)13-8-6-7-9-15(13)22-4/h6-9,11,14H,5,10H2,1-4H3,(H,19,20)
InChIKeyMOOCTZBECICCOY-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

Riodipine
CID 68909
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(p-methoxyphenyl)-2,6-dimethyl-, diethyl ester
CID 97201
Ethyl 4-(2-(difluoromethoxy)phenyl)-1,4,5,7-tetrahydro-2-methyl-5-oxofuro(3,4-b)pyridine-3-carboxylate
CID 123861
Dimethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704158
Dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 737072
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4638847
Dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 614332
3,5-Bis(2-propoxyethyl) 4-(2-(difluoromethoxy)phenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 159556
Diethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982665
4-(2-Meo-PH)-2,6-dimethyl-1,4-2H-pyridine-3,5-dicarboxylic acid diethyl ester
CID 989165
Isopropyl 4-(2-methoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
CID 2997006
Propan-2-yl 4-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 2897970

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 3236410) is butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CCC(C)OC(=O)C1=C(C)NC(=O)CC1c1ccccc1OC.
What is the InChIKey of butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is MOOCTZBECICCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-5-11(2)23-18(21)17-12(3)19-16(20)10-14(17)13-8-6-7-9-15(13)22-4/h6-9,11,14H,5,10H2,1-4H3,(H,19,20).
What are the key properties of butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 3236410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).