N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C23H22N4O3 — CID 122191415

IUPACN-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C23H22N4O3/c1-17-2-4-18(5-3-17)14-25-22(28)16-30-21-8-6-19(7-9-21)15-26-27-23(29)20-10-12-24-13-11-20/h2-13,15H,14,16H2,1H3,(H,25,28)(H,27,29)/b26-15+
InChIKeyYNNGYBQSCLNOAU-CVKSISIWSA-N
MW402.45 g/mol
LogP2.85
Rot. Bonds8

About N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 122191415) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID122191415
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C23H22N4O3/c1-17-2-4-18(5-3-17)14-25-22(28)16-30-21-8-6-19(7-9-21)15-26-27-23(29)20-10-12-24-13-11-20/h2-13,15H,14,16H2,1H3,(H,25,28)(H,27,29)/b26-15+
InChIKeyYNNGYBQSCLNOAU-CVKSISIWSA-N
XLogP2.85
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
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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Related Compounds

N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 51042560
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191414
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-chloro-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 96886328
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 122191415) is N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is Cc1ccc(CNC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is YNNGYBQSCLNOAU-CVKSISIWSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-17-2-4-18(5-3-17)14-25-22(28)16-30-21-8-6-19(7-9-21)15-26-27-23(29)20-10-12-24-13-11-20/h2-13,15H,14,16H2,1H3,(H,25,28)(H,27,29)/b26-15+.
What are the key properties of N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 122191415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).