N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide

C16H16N2O3 — CID 9119439

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)c1ccccn1
InChIInChI=1S/C16H16N2O3/c19-16(13-3-1-2-7-17-13)18-8-6-12-4-5-14-15(11-12)21-10-9-20-14/h1-5,7,11H,6,8-10H2,(H,18,19)
InChIKeyHXHWQSBEANMZHF-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.83
Rot. Bonds4

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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide (PubChem CID 9119439) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
PubChem CID9119439
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)c1ccccn1
InChIInChI=1S/C16H16N2O3/c19-16(13-3-1-2-7-17-13)18-8-6-12-4-5-14-15(11-12)21-10-9-20-14/h1-5,7,11H,6,8-10H2,(H,18,19)
InChIKeyHXHWQSBEANMZHF-UHFFFAOYSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide (CID 9119439) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc2c(c1)OCCO2)c1ccccn1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is HXHWQSBEANMZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(13-3-1-2-7-17-13)18-8-6-12-4-5-14-15(11-12)21-10-9-20-14/h1-5,7,11H,6,8-10H2,(H,18,19).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9119439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).