2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid

C11H14N2O5 — CID 63614935

IUPAC2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCOC(CNC(=O)c1ncccc1C(=O)O)OC
InChIInChI=1S/C11H14N2O5/c1-17-8(18-2)6-13-10(14)9-7(11(15)16)4-3-5-12-9/h3-5,8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCXPGILPTHRISOS-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.13
Rot. Bonds6

About 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid

2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63614935) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63614935
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCOC(CNC(=O)c1ncccc1C(=O)O)OC
InChIInChI=1S/C11H14N2O5/c1-17-8(18-2)6-13-10(14)9-7(11(15)16)4-3-5-12-9/h3-5,8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCXPGILPTHRISOS-UHFFFAOYSA-N
XLogP0.13
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid (CID 63614935) is 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid is COC(CNC(=O)c1ncccc1C(=O)O)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is CXPGILPTHRISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-8(18-2)6-13-10(14)9-7(11(15)16)4-3-5-12-9/h3-5,8H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).