(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid

C13H16N2O4 — CID 55169258

IUPAC(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESCCn1cc(NC(=O)/C(C)=C(/C)C(=O)O)ccc1=O
InChIInChI=1S/C13H16N2O4/c1-4-15-7-10(5-6-11(15)16)14-12(17)8(2)9(3)13(18)19/h5-7H,4H2,1-3H3,(H,14,17)(H,18,19)/b9-8-
InChIKeyXFFVTGBANGDEJL-HJWRWDBZSA-N
MW264.28 g/mol
LogP1.23
Rot. Bonds4

About (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid

(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid (PubChem CID 55169258) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
PubChem CID55169258
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESCCn1cc(NC(=O)/C(C)=C(/C)C(=O)O)ccc1=O
InChIInChI=1S/C13H16N2O4/c1-4-15-7-10(5-6-11(15)16)14-12(17)8(2)9(3)13(18)19/h5-7H,4H2,1-3H3,(H,14,17)(H,18,19)/b9-8-
InChIKeyXFFVTGBANGDEJL-HJWRWDBZSA-N
XLogP1.23
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 146323423
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
CID 130157687
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438
1-benzyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 48739052
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid (CID 55169258) is (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid is CCn1cc(NC(=O)/C(C)=C(/C)C(=O)O)ccc1=O.
What is the InChIKey of (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The InChIKey is XFFVTGBANGDEJL-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-15-7-10(5-6-11(15)16)14-12(17)8(2)9(3)13(18)19/h5-7H,4H2,1-3H3,(H,14,17)(H,18,19)/b9-8-.
What are the key properties of (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid?
(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid is sourced from PubChem (CID 55169258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).