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

C22H21N3O3 — CID 110524545

IUPAC1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-16-5-7-17(8-6-16)14-23-24-21(26)20-4-3-13-25(22(20)27)15-18-9-11-19(28-2)12-10-18/h3-14H,15H2,1-2H3,(H,24,26)/b23-14-
InChIKeyGCVRVVMWHCWZSP-UCQKPKSFSA-N
MW375.43 g/mol
LogP2.98
Rot. Bonds6

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

1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110524545) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110524545
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-16-5-7-17(8-6-16)14-23-24-21(26)20-4-3-13-25(22(20)27)15-18-9-11-19(28-2)12-10-18/h3-14H,15H2,1-2H3,(H,24,26)/b23-14-
InChIKeyGCVRVVMWHCWZSP-UCQKPKSFSA-N
XLogP2.98
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.98
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)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524555
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524556
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524073
1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523250
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523990
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523988
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524027
[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate
CID 110523171

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110524545) is 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is COc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is GCVRVVMWHCWZSP-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-5-7-17(8-6-16)14-23-24-21(26)20-4-3-13-25(22(20)27)15-18-9-11-19(28-2)12-10-18/h3-14H,15H2,1-2H3,(H,24,26)/b23-14-.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).