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

C24H27NO5 — CID 17060716

IUPAC(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C24H27NO5/c1-4-13-29-21-8-6-5-7-19(21)20-14-22(26)25-16(2)23(20)24(27)30-15-17-9-11-18(28-3)12-10-17/h5-12,20H,4,13-15H2,1-3H3,(H,25,26)
InChIKeyBUHVLDQFNYLMGM-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.10
Rot. Bonds8

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

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 17060716) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID17060716
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C24H27NO5/c1-4-13-29-21-8-6-5-7-19(21)20-14-22(26)25-16(2)23(20)24(27)30-15-17-9-11-18(28-3)12-10-17/h5-12,20H,4,13-15H2,1-3H3,(H,25,26)
InChIKeyBUHVLDQFNYLMGM-UHFFFAOYSA-N
XLogP4.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17312514
(4-methoxyphenyl)methyl (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7412563
cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7412560
(4-methoxyphenyl)methyl 6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17312519
(4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1351228
(4-methylphenyl)methyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7412659
(4-methylphenyl)methyl 4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15989809
benzyl (4S)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 773477
(4-methylphenyl)methyl (4S)-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7414226
2-methylsulfanylethyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 6485683
benzyl (4S,7S)-2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51399197
(7R)-3-(4-methoxyphenyl)-5-oxo-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061295

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate (CID 17060716) is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate is CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is BUHVLDQFNYLMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-4-13-29-21-8-6-5-7-19(21)20-14-22(26)25-16(2)23(20)24(27)30-15-17-9-11-18(28-3)12-10-17/h5-12,20H,4,13-15H2,1-3H3,(H,25,26).
What are the key properties of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 409.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 17060716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).