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

C16H17N3O3 — CID 110523250

IUPAC1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H17N3O3/c1-3-19-10-4-5-14(16(19)21)15(20)18-17-11-12-6-8-13(22-2)9-7-12/h4-11H,3H2,1-2H3,(H,18,20)/b17-11-
InChIKeySMEODXYFQHORJP-BOPFTXTBSA-N
MW299.33 g/mol
LogP1.64
Rot. Bonds5

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

1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110523250) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110523250
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H17N3O3/c1-3-19-10-4-5-14(16(19)21)15(20)18-17-11-12-6-8-13(22-2)9-7-12/h4-11H,3H2,1-2H3,(H,18,20)/b17-11-
InChIKeySMEODXYFQHORJP-BOPFTXTBSA-N
XLogP1.64
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.64
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-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523365
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
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-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523278
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523358
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
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110523250) is 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is CCn1cccc(C(=O)N/N=C\c2ccc(OC)cc2)c1=O.
What is the InChIKey of 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is SMEODXYFQHORJP-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-19-10-4-5-14(16(19)21)15(20)18-17-11-12-6-8-13(22-2)9-7-12/h4-11H,3H2,1-2H3,(H,18,20)/b17-11-.
What are the key properties of 1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.64, 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-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).