1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid

C18H18N2O6 — CID 19787857

IUPAC1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid
SMILESCC1(C)C=C(n2ccccc2=O)c2cnccc2O1.O=C(O)CC(=O)O
InChIInChI=1S/C15H14N2O2.C3H4O4/c1-15(2)9-12(17-8-4-3-5-14(17)18)11-10-16-7-6-13(11)19-15;4-2(5)1-3(6)7/h3-10H,1-2H3;1H2,(H,4,5)(H,6,7)
InChIKeyOYNOSVDMGUFQEW-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.85
Rot. Bonds3

About 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid

1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid (PubChem CID 19787857) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid
PubChem CID19787857
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid
SMILESCC1(C)C=C(n2ccccc2=O)c2cnccc2O1.O=C(O)CC(=O)O
InChIInChI=1S/C15H14N2O2.C3H4O4/c1-15(2)9-12(17-8-4-3-5-14(17)18)11-10-16-7-6-13(11)19-15;4-2(5)1-3(6)7/h3-10H,1-2H3;1H2,(H,4,5)(H,6,7)
InChIKeyOYNOSVDMGUFQEW-UHFFFAOYSA-N
XLogP1.85
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 14403352
CID 14403352
CID 14743491
CID 14743491
CID 44333837
CID 44333837
CID 14755387
CID 14755387
CID 21104449
CID 21104449
CID 23049020
CID 23049020
CID 23049021
CID 23049021
CID 23049022
CID 23049022
CID 23049026
CID 23049026
CID 23049030
CID 23049030
CID 23049038
CID 23049038
CID 23049042
CID 23049042

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid?
The IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid (CID 19787857) is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid.
What is the SMILES notation for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid?
The canonical SMILES for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid is CC1(C)C=C(n2ccccc2=O)c2cnccc2O1.O=C(O)CC(=O)O.
What is the InChIKey of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid?
The InChIKey is OYNOSVDMGUFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.C3H4O4/c1-15(2)9-12(17-8-4-3-5-14(17)18)11-10-16-7-6-13(11)19-15;4-2(5)1-3(6)7/h3-10H,1-2H3;1H2,(H,4,5)(H,6,7).
What are the key properties of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid?
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid has a molecular weight of 358.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid is sourced from PubChem (CID 19787857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).