ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate

C26H25NO4 — CID 14857356

IUPACethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(c1cccn(Cc3ccccc3)c1=O)=CC(C)(C)O2
InChIInChI=1S/C26H25NO4/c1-4-30-25(29)19-12-13-23-21(15-19)22(16-26(2,3)31-23)20-11-8-14-27(24(20)28)17-18-9-6-5-7-10-18/h5-16H,4,17H2,1-3H3
InChIKeyRAAMUWHTNWZLPG-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.68
Rot. Bonds5

About ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate

ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate (PubChem CID 14857356) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate
PubChem CID14857356
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Nameethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(c1cccn(Cc3ccccc3)c1=O)=CC(C)(C)O2
InChIInChI=1S/C26H25NO4/c1-4-30-25(29)19-12-13-23-21(15-19)22(16-26(2,3)31-23)20-11-8-14-27(24(20)28)17-18-9-6-5-7-10-18/h5-16H,4,17H2,1-3H3
InChIKeyRAAMUWHTNWZLPG-UHFFFAOYSA-N
XLogP4.68
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
CID 14857376
ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate;methyl 4-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 160563226
4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
CID 58406905
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
methyl 2,2-dimethyl-4-(2,4,5-trifluorophenyl)chromene-6-carboxylate
CID 58406737
2,2-dimethyl-4-(2,3,4-trifluorophenyl)chromene-6-carboxylic acid
CID 58407323
ethyl 2,2-dichloro-1,3-benzodioxole-5-carboxylate
CID 52911141
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
CID 10915918
2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14182564
ethyl 1-benzyl-3-cyanopyrrole-2-carboxylate
CID 71403790
ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate
CID 166940707

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate?
The IUPAC name of ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate (CID 14857356) is ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate.
What is the SMILES notation for ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate?
The canonical SMILES for ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate is CCOC(=O)c1ccc2c(c1)C(c1cccn(Cc3ccccc3)c1=O)=CC(C)(C)O2.
What is the InChIKey of ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate?
The InChIKey is RAAMUWHTNWZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-4-30-25(29)19-12-13-23-21(15-19)22(16-26(2,3)31-23)20-11-8-14-27(24(20)28)17-18-9-6-5-7-10-18/h5-16H,4,17H2,1-3H3.
What are the key properties of ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate?
ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate has a molecular weight of 415.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate is sourced from PubChem (CID 14857356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).