5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide

C10H11IN2O3 — CID 125491105

IUPAC5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
SMILESC=CCONC(=O)c1cc(I)c(C)[nH]c1=O
InChIInChI=1S/C10H11IN2O3/c1-3-4-16-13-10(15)7-5-8(11)6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,12,14)(H,13,15)
InChIKeyOLEUDONFAVIGII-UHFFFAOYSA-N
MW334.11 g/mol
LogP1.14
Rot. Bonds4

About 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide

5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide (PubChem CID 125491105) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
PubChem CID125491105
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Name5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
SMILESC=CCONC(=O)c1cc(I)c(C)[nH]c1=O
InChIInChI=1S/C10H11IN2O3/c1-3-4-16-13-10(15)7-5-8(11)6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,12,14)(H,13,15)
InChIKeyOLEUDONFAVIGII-UHFFFAOYSA-N
XLogP1.14
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The IUPAC name of 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide (CID 125491105) is 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide is C=CCONC(=O)c1cc(I)c(C)[nH]c1=O.
What is the InChIKey of 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The InChIKey is OLEUDONFAVIGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3/c1-3-4-16-13-10(15)7-5-8(11)6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,12,14)(H,13,15).
What are the key properties of 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide has a molecular weight of 334.11 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).