3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid

C12H15N3O4 — CID 113447917

IUPAC3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)NC1CCCOC1
InChIInChI=1S/C12H15N3O4/c16-11(17)10-9(4-1-5-13-10)15-12(18)14-8-3-2-6-19-7-8/h1,4-5,8H,2-3,6-7H2,(H,16,17)(H2,14,15,18)
InChIKeyYOXLBKSMXPHAOX-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.08
Rot. Bonds3

About 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 113447917) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID113447917
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)NC1CCCOC1
InChIInChI=1S/C12H15N3O4/c16-11(17)10-9(4-1-5-13-10)15-12(18)14-8-3-2-6-19-7-8/h1,4-5,8H,2-3,6-7H2,(H,16,17)(H2,14,15,18)
InChIKeyYOXLBKSMXPHAOX-UHFFFAOYSA-N
XLogP1.08
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
4,5-difluoro-2-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361376
3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743728
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
CID 95291147
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 113447917) is 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid is O=C(Nc1cccnc1C(=O)O)NC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is YOXLBKSMXPHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-11(17)10-9(4-1-5-13-10)15-12(18)14-8-3-2-6-19-7-8/h1,4-5,8H,2-3,6-7H2,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113447917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).