N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide

C18H21N3O4 — CID 84572524

IUPACN-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C18H21N3O4/c1-12-9-15(21(24)25)10-20(17(12)23)11-16(22)19-14-7-5-13(6-8-14)18(2,3)4/h5-10H,11H2,1-4H3,(H,19,22)
InChIKeyHKUYJSXAUMCEAL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.00
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide

N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 84572524) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID84572524
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C18H21N3O4/c1-12-9-15(21(24)25)10-20(17(12)23)11-16(22)19-14-7-5-13(6-8-14)18(2,3)4/h5-10H,11H2,1-4H3,(H,19,22)
InChIKeyHKUYJSXAUMCEAL-UHFFFAOYSA-N
XLogP3.00
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572516
N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572317
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307
N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572305
1-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-5-nitropyridin-2-one
CID 84570933
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570724
methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate
CID 55834843
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-tert-butylphenyl)acetamide
CID 82031681
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
4-[(3-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 84570725
butan-2-yl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570723

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (CID 84572524) is N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is HKUYJSXAUMCEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-9-15(21(24)25)10-20(17(12)23)11-16(22)19-14-7-5-13(6-8-14)18(2,3)4/h5-10H,11H2,1-4H3,(H,19,22).
What are the key properties of N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 84572524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).