N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide

C15H13N3O3 — CID 6873108

IUPACN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H13N3O3/c1-10-3-2-4-12(17-10)15(19)18-16-8-11-5-6-13-14(7-11)21-9-20-13/h2-8H,9H2,1H3,(H,18,19)/b16-8+
InChIKeyQSSONRPIAGDUMJ-LZYBPNLTSA-N
MW283.29 g/mol
LogP1.88
Rot. Bonds3

About N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide (PubChem CID 6873108) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide
PubChem CID6873108
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H13N3O3/c1-10-3-2-4-12(17-10)15(19)18-16-8-11-5-6-13-14(7-11)21-9-20-13/h2-8H,9H2,1H3,(H,18,19)/b16-8+
InChIKeyQSSONRPIAGDUMJ-LZYBPNLTSA-N
XLogP1.88
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 ≤ 51.88
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)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide (CID 6873108) is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide?
The InChIKey is QSSONRPIAGDUMJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-3-2-4-12(17-10)15(19)18-16-8-11-5-6-13-14(7-11)21-9-20-13/h2-8H,9H2,1H3,(H,18,19)/b16-8+.
What are the key properties of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide?
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 6873108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).