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

C14H12N2O3 — CID 675178

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccnc1
InChIInChI=1S/C14H12N2O3/c17-14(10-2-1-5-15-9-10)16-11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyCBFGRFDAZPIPSV-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.11
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (PubChem CID 675178) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
PubChem CID675178
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccnc1
InChIInChI=1S/C14H12N2O3/c17-14(10-2-1-5-15-9-10)16-11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyCBFGRFDAZPIPSV-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (CID 675178) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The InChIKey is CBFGRFDAZPIPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(10-2-1-5-15-9-10)16-11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8-9H,6-7H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-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-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 675178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).