ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate

C17H19NO3 — CID 13122728

IUPACethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C(C)C(=O)c2ccccc2)C=C1
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)18-11-9-14(10-12-18)13(2)16(19)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3
InChIKeyBJQPGIPIONEVFH-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.62
Rot. Bonds4

About ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate

ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate (PubChem CID 13122728) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate
PubChem CID13122728
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C(C)C(=O)c2ccccc2)C=C1
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)18-11-9-14(10-12-18)13(2)16(19)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3
InChIKeyBJQPGIPIONEVFH-UHFFFAOYSA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-butan-2-yl-4H-pyridine-1-carboxylate
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ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
ethyl 3-formyl-4-phenyl-4H-pyridine-1-carboxylate
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2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
ethyl 2-cyano-3-oxo-3-phenylpropanoate
CID 3613418
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045
ethyl 2-benzoyl-3,5-dimethyl-4-oxohex-5-enoate
CID 15882365
ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
benzene;2,2-diethoxy-1-phenylethanone;hydrate
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2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate (CID 13122728) is ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(C(C)C(=O)c2ccccc2)C=C1.
What is the InChIKey of ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate?
The InChIKey is BJQPGIPIONEVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-17(20)18-11-9-14(10-12-18)13(2)16(19)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate?
ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-oxo-1-phenylpropan-2-yl)-4H-pyridine-1-carboxylate is sourced from PubChem (CID 13122728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).