N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide

C22H22N4O3 — CID 133407585

IUPACN-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-3-16-9-7-8-12-18(16)23-21(27)15-25(2)20-14-13-19(26(28)29)22(24-20)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3,(H,23,27)
InChIKeyLVQMTDATOOIAAE-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.29
Rot. Bonds7

About N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide

N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide (PubChem CID 133407585) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide
PubChem CID133407585
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-3-16-9-7-8-12-18(16)23-21(27)15-25(2)20-14-13-19(26(28)29)22(24-20)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3,(H,23,27)
InChIKeyLVQMTDATOOIAAE-UHFFFAOYSA-N
XLogP4.29
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.29
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-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide
CID 47067843
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32679368
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 46450103
2-[[2-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 51189142
2-[(4-chloro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-ethylphenyl)acetamide
CID 71790394
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide (CID 133407585) is N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide is CCc1ccccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide?
The InChIKey is LVQMTDATOOIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-16-9-7-8-12-18(16)23-21(27)15-25(2)20-14-13-19(26(28)29)22(24-20)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3,(H,23,27).
What are the key properties of N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide?
N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide has a molecular weight of 390.44 g/mol, XLogP of 4.29, 7 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-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 133407585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).