N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C23H22ClN3O3 — CID 110524027

IUPACN-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-3-30-21-11-10-18(13-20(21)24)14-25-26-22(28)19-5-4-12-27(23(19)29)15-17-8-6-16(2)7-9-17/h4-14H,3,15H2,1-2H3,(H,26,28)/b25-14-
InChIKeyJXEDINXXKOKOOB-QFEZKATASA-N
MW423.90 g/mol
LogP4.02
Rot. Bonds7

About N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110524027) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110524027
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC NameN-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-3-30-21-11-10-18(13-20(21)24)14-25-26-22(28)19-5-4-12-27(23(19)29)15-17-8-6-16(2)7-9-17/h4-14H,3,15H2,1-2H3,(H,26,28)/b25-14-
InChIKeyJXEDINXXKOKOOB-QFEZKATASA-N
XLogP4.02
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.02
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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Related Compounds

N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523988
1-benzyl-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523889
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523547
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523258
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
1-benzyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874487
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874500
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524073
1-[(2-chlorophenyl)methyl]-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524367
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524555

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110524027) is N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1Cl.
What is the InChIKey of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is JXEDINXXKOKOOB-QFEZKATASA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-3-30-21-11-10-18(13-20(21)24)14-25-26-22(28)19-5-4-12-27(23(19)29)15-17-8-6-16(2)7-9-17/h4-14H,3,15H2,1-2H3,(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).