N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide

C23H22N4O5 — CID 6905883

IUPACN-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)cc1
InChIInChI=1S/C23H22N4O5/c1-30-19-8-6-18(7-9-19)26-22(28)15-32-20-10-5-16(12-21(20)31-2)13-25-27-23(29)17-4-3-11-24-14-17/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)/b25-13+
InChIKeyXEZOUYXDFXGYQV-DHRITJCHSA-N
MW434.45 g/mol
LogP2.88
Rot. Bonds9

About N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6905883) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID6905883
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)cc1
InChIInChI=1S/C23H22N4O5/c1-30-19-8-6-18(7-9-19)26-22(28)15-32-20-10-5-16(12-21(20)31-2)13-25-27-23(29)17-4-3-11-24-14-17/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)/b25-13+
InChIKeyXEZOUYXDFXGYQV-DHRITJCHSA-N
XLogP2.88
TPSA111.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.88
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 N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide (CID 6905883) is N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide is COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)cc1.
What is the InChIKey of N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is XEZOUYXDFXGYQV-DHRITJCHSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-30-19-8-6-18(7-9-19)26-22(28)15-32-20-10-5-16(12-21(20)31-2)13-25-27-23(29)17-4-3-11-24-14-17/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)/b25-13+.
What are the key properties of N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6905883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).