N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C14H11ClN2O3 — CID 938310

IUPACN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11ClN2O3/c15-10-2-1-5-16-13(10)17-14(18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,16,17,18)
InChIKeyXLPCOGBRASIGAR-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.76
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 938310) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID938310
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11ClN2O3/c15-10-2-1-5-16-13(10)17-14(18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,16,17,18)
InChIKeyXLPCOGBRASIGAR-UHFFFAOYSA-N
XLogP2.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-pyridinyl)-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-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 938310) is N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ncccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is XLPCOGBRASIGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-2-1-5-16-13(10)17-14(18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,16,17,18).
What are the key properties of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 938310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).