2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide

C23H21N5O4 — CID 6862979

IUPAC2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H21N5O4/c1-31-18-10-6-16(7-11-18)14-24-27-22(29)20-4-3-5-21(26-20)23(30)28-25-15-17-8-12-19(32-2)13-9-17/h3-15H,1-2H3,(H,27,29)(H,28,30)/b24-14+,25-15+
InChIKeyVSQVEZJWLNDTPO-KOJZRSEWSA-N
MW431.45 g/mol
LogP2.63
Rot. Bonds8

About 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide (PubChem CID 6862979) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
PubChem CID6862979
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H21N5O4/c1-31-18-10-6-16(7-11-18)14-24-27-22(29)20-4-3-5-21(26-20)23(30)28-25-15-17-8-12-19(32-2)13-9-17/h3-15H,1-2H3,(H,27,29)(H,28,30)/b24-14+,25-15+
InChIKeyVSQVEZJWLNDTPO-KOJZRSEWSA-N
XLogP2.63
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide (CID 6862979) is 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide is COc1ccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The InChIKey is VSQVEZJWLNDTPO-KOJZRSEWSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-31-18-10-6-16(7-11-18)14-24-27-22(29)20-4-3-5-21(26-20)23(30)28-25-15-17-8-12-19(32-2)13-9-17/h3-15H,1-2H3,(H,27,29)(H,28,30)/b24-14+,25-15+.
What are the key properties of 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide has a molecular weight of 431.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(E)-(4-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 6862979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).