4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide

C20H17N3O3 — CID 46230090

IUPAC4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)cnc2N)cc1
InChIInChI=1S/C20H17N3O3/c21-19-16(12-1-3-13(4-2-12)20(22)24)9-15(11-23-19)14-5-6-17-18(10-14)26-8-7-25-17/h1-6,9-11H,7-8H2,(H2,21,23)(H2,22,24)
InChIKeyKZIAPYGEPOIFQR-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.87
Rot. Bonds3

About 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide

4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide (PubChem CID 46230090) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide
PubChem CID46230090
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)cnc2N)cc1
InChIInChI=1S/C20H17N3O3/c21-19-16(12-1-3-13(4-2-12)20(22)24)9-15(11-23-19)14-5-6-17-18(10-14)26-8-7-25-17/h1-6,9-11H,7-8H2,(H2,21,23)(H2,22,24)
InChIKeyKZIAPYGEPOIFQR-UHFFFAOYSA-N
XLogP2.87
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide (CID 46230090) is 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)cnc2N)cc1.
What is the InChIKey of 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide?
The InChIKey is KZIAPYGEPOIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c21-19-16(12-1-3-13(4-2-12)20(22)24)9-15(11-23-19)14-5-6-17-18(10-14)26-8-7-25-17/h1-6,9-11H,7-8H2,(H2,21,23)(H2,22,24).
What are the key properties of 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide?
4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 46230090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).