2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C14H16N4O4 — CID 8632328

IUPAC2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O
InChIInChI=1S/C14H16N4O4/c1-4-16(7-10(2)3)13(19)9-17-8-12(18(21)22)5-11(6-15)14(17)20/h5,8H,2,4,7,9H2,1,3H3
InChIKeyLDCATFFPYIGNKT-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.05
Rot. Bonds6

About 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 8632328) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID8632328
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O
InChIInChI=1S/C14H16N4O4/c1-4-16(7-10(2)3)13(19)9-17-8-12(18(21)22)5-11(6-15)14(17)20/h5,8H,2,4,7,9H2,1,3H3
InChIKeyLDCATFFPYIGNKT-UHFFFAOYSA-N
XLogP1.05
TPSA109.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84603998
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8632561
N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide
CID 8632262
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8632494
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
CID 8632311
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 8632425
N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide
CID 38980480
1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632247
N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
CID 134013284
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632273
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 8632452

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 8632328) is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is LDCATFFPYIGNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-4-16(7-10(2)3)13(19)9-17-8-12(18(21)22)5-11(6-15)14(17)20/h5,8H,2,4,7,9H2,1,3H3.
What are the key properties of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 8632328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).