4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide

C19H15N3O3 — CID 46230089

IUPAC4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)cnc2N)cc1
InChIInChI=1S/C19H15N3O3/c20-18-15(11-1-3-12(4-2-11)19(21)23)7-14(9-22-18)13-5-6-16-17(8-13)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
InChIKeyHEDOSACWDNNIEJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.83
Rot. Bonds3

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

4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide (PubChem CID 46230089) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide
PubChem CID46230089
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)cnc2N)cc1
InChIInChI=1S/C19H15N3O3/c20-18-15(11-1-3-12(4-2-11)19(21)23)7-14(9-22-18)13-5-6-16-17(8-13)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
InChIKeyHEDOSACWDNNIEJ-UHFFFAOYSA-N
XLogP2.83
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.83
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-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide (CID 46230089) is 4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)cnc2N)cc1.
What is the InChIKey of 4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide?
The InChIKey is HEDOSACWDNNIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c20-18-15(11-1-3-12(4-2-11)19(21)23)7-14(9-22-18)13-5-6-16-17(8-13)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23).
What are the key properties of 4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide?
4-[2-amino-5-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide has a molecular weight of 333.35 g/mol, XLogP of 2.83, 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-(1,3-benzodioxol-5-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 46230089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).