2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide

C18H15N3O4 — CID 84572307

IUPAC2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
SMILESCc1cc([N+](=O)[O-])cn(CC(=O)Nc2cccc3ccccc23)c1=O
InChIInChI=1S/C18H15N3O4/c1-12-9-14(21(24)25)10-20(18(12)23)11-17(22)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-10H,11H2,1H3,(H,19,22)
InChIKeyBNDPCDIDIXHICH-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.86
Rot. Bonds4

About 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide

2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide (PubChem CID 84572307) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
PubChem CID84572307
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
SMILESCc1cc([N+](=O)[O-])cn(CC(=O)Nc2cccc3ccccc23)c1=O
InChIInChI=1S/C18H15N3O4/c1-12-9-14(21(24)25)10-20(18(12)23)11-17(22)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-10H,11H2,1H3,(H,19,22)
InChIKeyBNDPCDIDIXHICH-UHFFFAOYSA-N
XLogP2.86
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.86
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-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572317
N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572516
N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572524
N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572305
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570724
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-[(2,6-dichlorophenyl)methyl]-3-methyl-5-nitropyridin-2-one
CID 84570353
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide (CID 84572307) is 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide is Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2cccc3ccccc23)c1=O.
What is the InChIKey of 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide?
The InChIKey is BNDPCDIDIXHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-12-9-14(21(24)25)10-20(18(12)23)11-17(22)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-10H,11H2,1H3,(H,19,22).
What are the key properties of 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide?
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide has a molecular weight of 337.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 84572307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).