2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

C20H15ClN2O4 — CID 2815400

IUPAC2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4/c21-13-3-6-15(7-4-13)27-20-16(2-1-9-22-20)19(24)23-14-5-8-17-18(12-14)26-11-10-25-17/h1-9,12H,10-11H2,(H,23,24)
InChIKeyLTNXZSHZHNYBRZ-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (PubChem CID 2815400) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
PubChem CID2815400
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4/c21-13-3-6-15(7-4-13)27-20-16(2-1-9-22-20)19(24)23-14-5-8-17-18(12-14)26-11-10-25-17/h1-9,12H,10-11H2,(H,23,24)
InChIKeyLTNXZSHZHNYBRZ-UHFFFAOYSA-N
XLogP4.55
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (CID 2815400) is 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The InChIKey is LTNXZSHZHNYBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-13-3-6-15(7-4-13)27-20-16(2-1-9-22-20)19(24)23-14-5-8-17-18(12-14)26-11-10-25-17/h1-9,12H,10-11H2,(H,23,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide has a molecular weight of 382.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2815400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).