N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide

C20H23N3O4 — CID 58710096

IUPACN-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cccc(/C=C/C(=O)c2c(C)c(C)cn(C)c2=O)n1
InChIInChI=1S/C20H23N3O4/c1-13-12-23(3)20(26)18(14(13)2)17(24)9-8-15-6-5-7-16(22-15)19(25)21-10-11-27-4/h5-9,12H,10-11H2,1-4H3,(H,21,25)/b9-8+
InChIKeyWACHAUAOZZBTEU-CMDGGOBGSA-N
MW369.42 g/mol
LogP1.67
Rot. Bonds7

About N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide

N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide (PubChem CID 58710096) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide
PubChem CID58710096
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cccc(/C=C/C(=O)c2c(C)c(C)cn(C)c2=O)n1
InChIInChI=1S/C20H23N3O4/c1-13-12-23(3)20(26)18(14(13)2)17(24)9-8-15-6-5-7-16(22-15)19(25)21-10-11-27-4/h5-9,12H,10-11H2,1-4H3,(H,21,25)/b9-8+
InChIKeyWACHAUAOZZBTEU-CMDGGOBGSA-N
XLogP1.67
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide (CID 58710096) is N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide is COCCNC(=O)c1cccc(/C=C/C(=O)c2c(C)c(C)cn(C)c2=O)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide?
The InChIKey is WACHAUAOZZBTEU-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-12-23(3)20(26)18(14(13)2)17(24)9-8-15-6-5-7-16(22-15)19(25)21-10-11-27-4/h5-9,12H,10-11H2,1-4H3,(H,21,25)/b9-8+.
What are the key properties of N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide?
N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[(E)-3-oxo-3-(1,4,5-trimethyl-2-oxo-3-pyridinyl)prop-1-enyl]pyridine-2-carboxamide is sourced from PubChem (CID 58710096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).