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

C22H20N4O4 — CID 6876749

IUPACN-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H20N4O4/c1-29-20-7-3-2-6-19(20)25-21(27)15-30-18-10-8-16(9-11-18)13-24-26-22(28)17-5-4-12-23-14-17/h2-14H,15H2,1H3,(H,25,27)(H,26,28)/b24-13+
InChIKeyQYSARDYVKVSYBR-ZMOGYAJESA-N
MW404.43 g/mol
LogP2.87
Rot. Bonds8

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

N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6876749) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID6876749
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H20N4O4/c1-29-20-7-3-2-6-19(20)25-21(27)15-30-18-10-8-16(9-11-18)13-24-26-22(28)17-5-4-12-23-14-17/h2-14H,15H2,1H3,(H,25,27)(H,26,28)/b24-13+
InChIKeyQYSARDYVKVSYBR-ZMOGYAJESA-N
XLogP2.87
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide (CID 6876749) is N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide is COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is QYSARDYVKVSYBR-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H20N4O4/c1-29-20-7-3-2-6-19(20)25-21(27)15-30-18-10-8-16(9-11-18)13-24-26-22(28)17-5-4-12-23-14-17/h2-14H,15H2,1H3,(H,25,27)(H,26,28)/b24-13+.
What are the key properties of N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6876749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).