N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide

C21H16N4O4 — CID 55647504

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16N4O4/c1-14-11-17(29-21-16(13-22)6-4-10-23-21)8-9-18(14)24-20(26)12-15-5-2-3-7-19(15)25(27)28/h2-11H,12H2,1H3,(H,24,26)
InChIKeyHLSZQSLYMKGCEG-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.14
Rot. Bonds6

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 55647504) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
PubChem CID55647504
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16N4O4/c1-14-11-17(29-21-16(13-22)6-4-10-23-21)8-9-18(14)24-20(26)12-15-5-2-3-7-19(15)25(27)28/h2-11H,12H2,1H3,(H,24,26)
InChIKeyHLSZQSLYMKGCEG-UHFFFAOYSA-N
XLogP4.14
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.14
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

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-fluorophenyl)propanamide
CID 55764183
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 46428432
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 46485355
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55763880
2-benzo[e][1]benzofuran-1-yl-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46428429
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46485378
N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55930783
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46485325
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide (CID 55647504) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is HLSZQSLYMKGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c1-14-11-17(29-21-16(13-22)6-4-10-23-21)8-9-18(14)24-20(26)12-15-5-2-3-7-19(15)25(27)28/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 388.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 55647504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).