2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

C17H16N4O4 — CID 131948110

IUPAC2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccccc1N1C(=O)NC(C)C1=O
InChIInChI=1S/C17H16N4O4/c1-10-16(23)21(17(24)19-10)13-8-4-3-7-12(13)20-14(22)11-6-5-9-18-15(11)25-2/h3-10H,1-2H3,(H,19,24)(H,20,22)
InChIKeyNLNYWGFECSJOJN-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.79
Rot. Bonds4

About 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 131948110) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID131948110
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccccc1N1C(=O)NC(C)C1=O
InChIInChI=1S/C17H16N4O4/c1-10-16(23)21(17(24)19-10)13-8-4-3-7-12(13)20-14(22)11-6-5-9-18-15(11)25-2/h3-10H,1-2H3,(H,19,24)(H,20,22)
InChIKeyNLNYWGFECSJOJN-UHFFFAOYSA-N
XLogP1.79
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (CID 131948110) is 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccccc1N1C(=O)NC(C)C1=O.
What is the InChIKey of 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is NLNYWGFECSJOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-16(23)21(17(24)19-10)13-8-4-3-7-12(13)20-14(22)11-6-5-9-18-15(11)25-2/h3-10H,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131948110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).