2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide

C17H16N2O5 — CID 135555991

IUPAC2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide
SMILESCc1cc(O)c(C(=O)/C=C/c2cccc(OCC(N)=O)c2)c(=O)[nH]1
InChIInChI=1S/C17H16N2O5/c1-10-7-14(21)16(17(23)19-10)13(20)6-5-11-3-2-4-12(8-11)24-9-15(18)22/h2-8H,9H2,1H3,(H2,18,22)(H2,19,21,23)/b6-5+
InChIKeyNRHMDESSCSCGQE-AATRIKPKSA-N
MW328.32 g/mol
LogP1.15
Rot. Bonds6

About 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide

2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide (PubChem CID 135555991) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide
PubChem CID135555991
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide
SMILESCc1cc(O)c(C(=O)/C=C/c2cccc(OCC(N)=O)c2)c(=O)[nH]1
InChIInChI=1S/C17H16N2O5/c1-10-7-14(21)16(17(23)19-10)13(20)6-5-11-3-2-4-12(8-11)24-9-15(18)22/h2-8H,9H2,1H3,(H2,18,22)(H2,19,21,23)/b6-5+
InChIKeyNRHMDESSCSCGQE-AATRIKPKSA-N
XLogP1.15
TPSA122.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1E,3E)-5-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopenta-1,3-dienyl]phenoxy]acetic acid
CID 143583132
sodium;hydride;3-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]propane-1-sulfonic acid
CID 173065230
methyl 2-[4-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-2-methylphenoxy]acetate
CID 135556004
N-(cyanomethyl)-3-[3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]benzamide
CID 136650771
3-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 136500880
2-[[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]benzoyl]amino]butanedioic acid
CID 135555974
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 135304981
2-[3-[(E)-3-[4-(carboxymethoxy)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 23131771
[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium
CID 163560789
2-[3-[(E)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
CID 54725032
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921212

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide (CID 135555991) is 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide is Cc1cc(O)c(C(=O)/C=C/c2cccc(OCC(N)=O)c2)c(=O)[nH]1.
What is the InChIKey of 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide?
The InChIKey is NRHMDESSCSCGQE-AATRIKPKSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-10-7-14(21)16(17(23)19-10)13(20)6-5-11-3-2-4-12(8-11)24-9-15(18)22/h2-8H,9H2,1H3,(H2,18,22)(H2,19,21,23)/b6-5+.
What are the key properties of 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide?
2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide has a molecular weight of 328.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 135555991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).