4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide

C16H15N3O3 — CID 154801089

IUPAC4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cnc3c(c2)COCC3)cc1
InChIInChI=1S/C16H15N3O3/c17-15(20)10-1-3-11(4-2-10)16(21)19-13-7-12-9-22-6-5-14(12)18-8-13/h1-4,7-8H,5-6,9H2,(H2,17,20)(H,19,21)
InChIKeyNECZIUVENGFOEU-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.51
Rot. Bonds3

About 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide

4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide (PubChem CID 154801089) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide
PubChem CID154801089
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cnc3c(c2)COCC3)cc1
InChIInChI=1S/C16H15N3O3/c17-15(20)10-1-3-11(4-2-10)16(21)19-13-7-12-9-22-6-5-14(12)18-8-13/h1-4,7-8H,5-6,9H2,(H2,17,20)(H,19,21)
InChIKeyNECZIUVENGFOEU-UHFFFAOYSA-N
XLogP1.51
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide (CID 154801089) is 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2cnc3c(c2)COCC3)cc1.
What is the InChIKey of 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide?
The InChIKey is NECZIUVENGFOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-15(20)10-1-3-11(4-2-10)16(21)19-13-7-12-9-22-6-5-14(12)18-8-13/h1-4,7-8H,5-6,9H2,(H2,17,20)(H,19,21).
What are the key properties of 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide?
4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 154801089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).