2-(ethoxycarbamoyl)pyridine-3-carboxylic acid

C9H10N2O4 — CID 64974014

IUPAC2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
SMILESCCONC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C9H10N2O4/c1-2-15-11-8(12)7-6(9(13)14)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyOKRVHHGYVCHWHD-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.46
Rot. Bonds4

About 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid

2-(ethoxycarbamoyl)pyridine-3-carboxylic acid (PubChem CID 64974014) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
PubChem CID64974014
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
SMILESCCONC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C9H10N2O4/c1-2-15-11-8(12)7-6(9(13)14)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyOKRVHHGYVCHWHD-UHFFFAOYSA-N
XLogP0.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
CID 82720780
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid (CID 64974014) is 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid is CCONC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is OKRVHHGYVCHWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-15-11-8(12)7-6(9(13)14)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid?
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 64974014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).