ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate

C17H16N2O4 — CID 67092737

IUPACethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(O)cnc1C=CC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-2-23-17(22)19-15-10-13(20)11-18-14(15)8-9-16(21)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3,(H,19,22)
InChIKeyOJPWTFAJUVAMBQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.25
Rot. Bonds5

About ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate

ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate (PubChem CID 67092737) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate
PubChem CID67092737
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Nameethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(O)cnc1C=CC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-2-23-17(22)19-15-10-13(20)11-18-14(15)8-9-16(21)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3,(H,19,22)
InChIKeyOJPWTFAJUVAMBQ-UHFFFAOYSA-N
XLogP3.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
CID 123146032
ethyl N-[2-oxo-5-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-yl]carbamate
CID 67092758
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
[3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate
CID 134520010
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
ethyl (E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoate
CID 175668642
ethyl N-[4-[3-(4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67014201
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate (CID 67092737) is ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate is CCOC(=O)Nc1cc(O)cnc1C=CC(=O)c1ccccc1.
What is the InChIKey of ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate?
The InChIKey is OJPWTFAJUVAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-23-17(22)19-15-10-13(20)11-18-14(15)8-9-16(21)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3,(H,19,22).
What are the key properties of ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate?
ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate has a molecular weight of 312.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-hydroxy-2-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 67092737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).