6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid

C15H13N3O4 — CID 144569763

IUPAC6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCOc3cccnc32)nc1
InChIInChI=1S/C15H13N3O4/c19-14(11-4-3-9(8-17-11)15(20)21)18-10-5-7-22-12-2-1-6-16-13(10)12/h1-4,6,8,10H,5,7H2,(H,18,19)(H,20,21)
InChIKeyXBAXLYSYTNTSCR-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.43
Rot. Bonds3

About 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid

6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 144569763) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID144569763
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCOc3cccnc32)nc1
InChIInChI=1S/C15H13N3O4/c19-14(11-4-3-9(8-17-11)15(20)21)18-10-5-7-22-12-2-1-6-16-13(10)12/h1-4,6,8,10H,5,7H2,(H,18,19)(H,20,21)
InChIKeyXBAXLYSYTNTSCR-UHFFFAOYSA-N
XLogP1.43
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
CID 144570083
N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine
CID 144570129
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
CID 144570162
1-fluoro-2-(trifluoromethoxy)benzene;methyl 2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-4-carboxylate
CID 144570124
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
CID 63719488
2-(cyclopropylamino)-4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)benzoic acid;1-fluoro-2-(trifluoromethoxy)benzene
CID 144569902

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid (CID 144569763) is 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)NC2CCOc3cccnc32)nc1.
What is the InChIKey of 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is XBAXLYSYTNTSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14(11-4-3-9(8-17-11)15(20)21)18-10-5-7-22-12-2-1-6-16-13(10)12/h1-4,6,8,10H,5,7H2,(H,18,19)(H,20,21).
What are the key properties of 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 144569763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).