N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C14H11ClN2O3 — CID 103893036

IUPACN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C14H11ClN2O3/c15-10-4-2-6-16-13(10)17-14(18)9-3-1-5-11-12(9)20-8-7-19-11/h1-6H,7-8H2,(H,16,17,18)
InChIKeyOGITTZCRDQNTSV-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.76
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 103893036) 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-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID103893036
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C14H11ClN2O3/c15-10-4-2-6-16-13(10)17-14(18)9-3-1-5-11-12(9)20-8-7-19-11/h1-6H,7-8H2,(H,16,17,18)
InChIKeyOGITTZCRDQNTSV-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 103893036) is N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(Nc1ncccc1Cl)c1cccc2c1OCCO2.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is OGITTZCRDQNTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-4-2-6-16-13(10)17-14(18)9-3-1-5-11-12(9)20-8-7-19-11/h1-6H,7-8H2,(H,16,17,18).
What are the key properties of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-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-5-carboxamide is sourced from PubChem (CID 103893036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).