2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide

C17H16N4O4 — CID 126416168

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C17H16N4O4/c1-10-4-5-13(21(24)25)7-15(10)19-16(22)9-20-12(3)6-11(2)14(8-18)17(20)23/h4-7H,9H2,1-3H3,(H,19,22)
InChIKeyLRKGATDVVYCAHR-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.19
Rot. Bonds4

About 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 126416168) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID126416168
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C17H16N4O4/c1-10-4-5-13(21(24)25)7-15(10)19-16(22)9-20-12(3)6-11(2)14(8-18)17(20)23/h4-7H,9H2,1-3H3,(H,19,22)
InChIKeyLRKGATDVVYCAHR-UHFFFAOYSA-N
XLogP2.19
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.19
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-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4153492
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7898424
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 86207797
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide
CID 46346640
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
N-(2-methyl-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627698

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide (CID 126416168) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is LRKGATDVVYCAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-4-5-13(21(24)25)7-15(10)19-16(22)9-20-12(3)6-11(2)14(8-18)17(20)23/h4-7H,9H2,1-3H3,(H,19,22).
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 126416168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).