1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid

C16H14N2O4 — CID 23049163

IUPAC1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid
SMILESCC1(C)C=C(n2cccc(C(=O)O)c2=O)c2ccncc2O1
InChIInChI=1S/C16H14N2O4/c1-16(2)8-12(10-5-6-17-9-13(10)22-16)18-7-3-4-11(14(18)19)15(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyJKMQKXDQWKRGHW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.00
Rot. Bonds2

About 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid

1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid (PubChem CID 23049163) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid
PubChem CID23049163
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid
SMILESCC1(C)C=C(n2cccc(C(=O)O)c2=O)c2ccncc2O1
InChIInChI=1S/C16H14N2O4/c1-16(2)8-12(10-5-6-17-9-13(10)22-16)18-7-3-4-11(14(18)19)15(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyJKMQKXDQWKRGHW-UHFFFAOYSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid (CID 23049163) is 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid is CC1(C)C=C(n2cccc(C(=O)O)c2=O)c2ccncc2O1.
What is the InChIKey of 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is JKMQKXDQWKRGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-16(2)8-12(10-5-6-17-9-13(10)22-16)18-7-3-4-11(14(18)19)15(20)21/h3-9H,1-2H3,(H,20,21).
What are the key properties of 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid?
1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 23049163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).