3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid

C11H10N2O5 — CID 104739890

IUPAC3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)C1=COCCO1
InChIInChI=1S/C11H10N2O5/c14-10(8-6-17-4-5-18-8)13-7-2-1-3-12-9(7)11(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChIKeySMDLNWWLMKNMRF-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.61
Rot. Bonds3

About 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid

3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid (PubChem CID 104739890) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid
PubChem CID104739890
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)C1=COCCO1
InChIInChI=1S/C11H10N2O5/c14-10(8-6-17-4-5-18-8)13-7-2-1-3-12-9(7)11(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChIKeySMDLNWWLMKNMRF-UHFFFAOYSA-N
XLogP0.61
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 51072460
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447917
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740205
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid (CID 104739890) is 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid is O=C(Nc1cccnc1C(=O)O)C1=COCCO1.
What is the InChIKey of 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid?
The InChIKey is SMDLNWWLMKNMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-10(8-6-17-4-5-18-8)13-7-2-1-3-12-9(7)11(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid?
3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104739890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).