1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide

C19H23N3O3 — CID 110523365

IUPAC1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2ccc(OC(C)(C)C)cc2)c1=O
InChIInChI=1S/C19H23N3O3/c1-5-22-12-6-7-16(18(22)24)17(23)21-20-13-14-8-10-15(11-9-14)25-19(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)/b20-13-
InChIKeyMXWQSGVQBZKNBK-MOSHPQCFSA-N
MW341.41 g/mol
LogP2.81
Rot. Bonds5

About 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide

1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110523365) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110523365
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2ccc(OC(C)(C)C)cc2)c1=O
InChIInChI=1S/C19H23N3O3/c1-5-22-12-6-7-16(18(22)24)17(23)21-20-13-14-8-10-15(11-9-14)25-19(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)/b20-13-
InChIKeyMXWQSGVQBZKNBK-MOSHPQCFSA-N
XLogP2.81
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.81
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

1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523250
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523278
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523233
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523641
[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate
CID 110523171
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523605
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524425
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-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide (CID 110523365) is 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide is CCn1cccc(C(=O)N/N=C\c2ccc(OC(C)(C)C)cc2)c1=O.
What is the InChIKey of 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is MXWQSGVQBZKNBK-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-22-12-6-7-16(18(22)24)17(23)21-20-13-14-8-10-15(11-9-14)25-19(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)/b20-13-.
What are the key properties of 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide?
1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).