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

C20H16N2O3 — CID 175580971

IUPAC3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cc(-c3ccc4c(c3)OCCO4)ccn2)c1
InChIInChI=1S/C20H16N2O3/c21-20(23)16-3-1-2-15(10-16)17-11-14(6-7-22-17)13-4-5-18-19(12-13)25-9-8-24-18/h1-7,10-12H,8-9H2,(H2,21,23)
InChIKeyBBJYRMSURYMSNZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.29
Rot. Bonds3

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

3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide (PubChem CID 175580971) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
PubChem CID175580971
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cc(-c3ccc4c(c3)OCCO4)ccn2)c1
InChIInChI=1S/C20H16N2O3/c21-20(23)16-3-1-2-15(10-16)17-11-14(6-7-22-17)13-4-5-18-19(12-13)25-9-8-24-18/h1-7,10-12H,8-9H2,(H2,21,23)
InChIKeyBBJYRMSURYMSNZ-UHFFFAOYSA-N
XLogP3.29
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
CID 11623230
4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-yl-3H-pyrrol-2-yl]benzamide
CID 165020989
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine
CID 117001756
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 59429737
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
CID 28650742
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
(Z)-3-amino-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-hydrazinylprop-2-enenitrile
CID 170147701
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone
CID 168528341
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941439
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 169402124

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide (CID 175580971) is 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide is NC(=O)c1cccc(-c2cc(-c3ccc4c(c3)OCCO4)ccn2)c1.
What is the InChIKey of 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The InChIKey is BBJYRMSURYMSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c21-20(23)16-3-1-2-15(10-16)17-11-14(6-7-22-17)13-4-5-18-19(12-13)25-9-8-24-18/h1-7,10-12H,8-9H2,(H2,21,23).
What are the key properties of 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 175580971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).