N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide

C20H16N2O4 — CID 2811303

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-19(22-12-14-8-9-17-18(11-14)25-13-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-11H,12-13H2,(H,22,23)
InChIKeyVGRYUWWPNTVXIP-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.53
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide (PubChem CID 2811303) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide
PubChem CID2811303
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-19(22-12-14-8-9-17-18(11-14)25-13-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-11H,12-13H2,(H,22,23)
InChIKeyVGRYUWWPNTVXIP-UHFFFAOYSA-N
XLogP3.53
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide (CID 2811303) is N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cccnc1Oc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide?
The InChIKey is VGRYUWWPNTVXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(22-12-14-8-9-17-18(11-14)25-13-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-11H,12-13H2,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 2811303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).