N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C14H12N2O3 — CID 829683

IUPACN-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12N2O3/c17-14(16-13-3-1-2-6-15-13)10-4-5-11-12(9-10)19-8-7-18-11/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyHYPPQTLTMMAOKR-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.11
Rot. Bonds2

About N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 829683) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID829683
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12N2O3/c17-14(16-13-3-1-2-6-15-13)10-4-5-11-12(9-10)19-8-7-18-11/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyHYPPQTLTMMAOKR-UHFFFAOYSA-N
XLogP2.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 829683) is N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccccn1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is HYPPQTLTMMAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(16-13-3-1-2-6-15-13)10-4-5-11-12(9-10)19-8-7-18-11/h1-6,9H,7-8H2,(H,15,16,17).
What are the key properties of N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 829683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).