N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide

C15H13N3O3 — CID 6899932

IUPACN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccncc1
InChIInChI=1S/C15H13N3O3/c19-15(12-3-5-16-6-4-12)18-17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,18,19)/b17-10+
InChIKeyLEPVURQMPXHNIV-LICLKQGHSA-N
MW283.29 g/mol
LogP1.62
Rot. Bonds3

About N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide

N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide (PubChem CID 6899932) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide
PubChem CID6899932
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccncc1
InChIInChI=1S/C15H13N3O3/c19-15(12-3-5-16-6-4-12)18-17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,18,19)/b17-10+
InChIKeyLEPVURQMPXHNIV-LICLKQGHSA-N
XLogP1.62
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide (CID 6899932) is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccncc1.
What is the InChIKey of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide?
The InChIKey is LEPVURQMPXHNIV-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(12-3-5-16-6-4-12)18-17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide?
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6899932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).