1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

C22H21N3O2 — CID 110523905

IUPAC1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H21N3O2/c1-2-17-10-12-18(13-11-17)15-23-24-21(26)20-9-6-14-25(22(20)27)16-19-7-4-3-5-8-19/h3-15H,2,16H2,1H3,(H,24,26)/b23-15-
InChIKeyDQWRHNWEKGXNSZ-HAHDFKILSA-N
MW359.43 g/mol
LogP3.22
Rot. Bonds6

About 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110523905) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110523905
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H21N3O2/c1-2-17-10-12-18(13-11-17)15-23-24-21(26)20-9-6-14-25(22(20)27)16-19-7-4-3-5-8-19/h3-15H,2,16H2,1H3,(H,24,26)/b23-15-
InChIKeyDQWRHNWEKGXNSZ-HAHDFKILSA-N
XLogP3.22
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523990
1-benzyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874487
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-benzyl-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523889
1-[(4-tert-butylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524614
1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523865
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
1-benzyl-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523896
1-[(3-chlorophenyl)methyl]-2-oxo-N-[(Z)-(4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524275

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110523905) is 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is CCc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is DQWRHNWEKGXNSZ-HAHDFKILSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-17-10-12-18(13-11-17)15-23-24-21(26)20-9-6-14-25(22(20)27)16-19-7-4-3-5-8-19/h3-15H,2,16H2,1H3,(H,24,26)/b23-15-.
What are the key properties of 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).