N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide

C16H18N4O3 — CID 9195857

IUPACN-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O3/c1-3-12-7-4-5-8-13(12)18-15(21)11-19(2)16-14(20(22)23)9-6-10-17-16/h4-10H,3,11H2,1-2H3,(H,18,21)
InChIKeyDAVCITGSENQSPF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.63
Rot. Bonds6

About N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide

N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide (PubChem CID 9195857) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
PubChem CID9195857
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O3/c1-3-12-7-4-5-8-13(12)18-15(21)11-19(2)16-14(20(22)23)9-6-10-17-16/h4-10H,3,11H2,1-2H3,(H,18,21)
InChIKeyDAVCITGSENQSPF-UHFFFAOYSA-N
XLogP2.63
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.63
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

2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide
CID 133407585
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195854
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide
CID 133481539
N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468233
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide
CID 47067843
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 46450103
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47060051
N-ethyl-N-(3-nitro-2-pyridinyl)propanamide
CID 155572515

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide (CID 9195857) is N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide is CCc1ccccc1NC(=O)CN(C)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is DAVCITGSENQSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-12-7-4-5-8-13(12)18-15(21)11-19(2)16-14(20(22)23)9-6-10-17-16/h4-10H,3,11H2,1-2H3,(H,18,21).
What are the key properties of N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide?
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 9195857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).