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

C14H12N2O3 — CID 2877810

IUPACN-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1COc2ccccc2O1
InChIInChI=1S/C14H12N2O3/c17-14(16-10-5-7-15-8-6-10)13-9-18-11-3-1-2-4-12(11)19-13/h1-8,13H,9H2,(H,15,16,17)
InChIKeyRNZFHXNLEHIXBN-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.86
Rot. Bonds2

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

N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2877810) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2877810
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1COc2ccccc2O1
InChIInChI=1S/C14H12N2O3/c17-14(16-10-5-7-15-8-6-10)13-9-18-11-3-1-2-4-12(11)19-13/h1-8,13H,9H2,(H,15,16,17)
InChIKeyRNZFHXNLEHIXBN-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2877810) is N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccncc1)C1COc2ccccc2O1.
What is the InChIKey of N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is RNZFHXNLEHIXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(16-10-5-7-15-8-6-10)13-9-18-11-3-1-2-4-12(11)19-13/h1-8,13H,9H2,(H,15,16,17).
What are the key properties of N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2877810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).