1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide

C14H15N3O3 — CID 110523278

IUPAC1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2ccc(C)o2)c1=O
InChIInChI=1S/C14H15N3O3/c1-3-17-8-4-5-12(14(17)19)13(18)16-15-9-11-7-6-10(2)20-11/h4-9H,3H2,1-2H3,(H,16,18)/b15-9-
InChIKeyQLKVTVYGOYAEMT-DHDCSXOGSA-N
MW273.29 g/mol
LogP1.53
Rot. Bonds4

About 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide

1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110523278) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110523278
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2ccc(C)o2)c1=O
InChIInChI=1S/C14H15N3O3/c1-3-17-8-4-5-12(14(17)19)13(18)16-15-9-11-7-6-10(2)20-11/h4-9H,3H2,1-2H3,(H,16,18)/b15-9-
InChIKeyQLKVTVYGOYAEMT-DHDCSXOGSA-N
XLogP1.53
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.53
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)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523365
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
CID 6266401
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523233
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110523278) is 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide is CCn1cccc(C(=O)N/N=C\c2ccc(C)o2)c1=O.
What is the InChIKey of 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is QLKVTVYGOYAEMT-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-17-8-4-5-12(14(17)19)13(18)16-15-9-11-7-6-10(2)20-11/h4-9H,3H2,1-2H3,(H,16,18)/b15-9-.
What are the key properties of 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).