2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide

C13H16N4O4 — CID 8632311

IUPAC2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O
InChIInChI=1S/C13H16N4O4/c1-3-4-9(2)15-12(18)8-16-7-11(17(20)21)5-10(6-14)13(16)19/h5,7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyUHPOSXNWEWCYHA-SECBINFHSA-N
MW292.30 g/mol
LogP0.93
Rot. Bonds6

About 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 8632311) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
PubChem CID8632311
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O
InChIInChI=1S/C13H16N4O4/c1-3-4-9(2)15-12(18)8-16-7-11(17(20)21)5-10(6-14)13(16)19/h5,7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyUHPOSXNWEWCYHA-SECBINFHSA-N
XLogP0.93
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 8632487
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8632535
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide
CID 8632461
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 8632452
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8632494
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632247
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402937
2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 2706855
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 8632328

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide (CID 8632311) is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=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-[(2R)-pentan-2-yl]acetamide?
The InChIKey is UHPOSXNWEWCYHA-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-4-9(2)15-12(18)8-16-7-11(17(20)21)5-10(6-14)13(16)19/h5,7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m1/s1.
What are the key properties of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide?
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 292.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 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-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 8632311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).