2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide

C14H13N3O3 — CID 145487392

IUPAC2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide
SMILESCc1ccnc(OC(C(=O)NN=O)c2ccccc2)c1
InChIInChI=1S/C14H13N3O3/c1-10-7-8-15-12(9-10)20-13(14(18)16-17-19)11-5-3-2-4-6-11/h2-9,13H,1H3,(H,16,18,19)
InChIKeyVEKBDMVIDAREBU-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.31
Rot. Bonds5

About 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide

2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide (PubChem CID 145487392) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide
PubChem CID145487392
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide
SMILESCc1ccnc(OC(C(=O)NN=O)c2ccccc2)c1
InChIInChI=1S/C14H13N3O3/c1-10-7-8-15-12(9-10)20-13(14(18)16-17-19)11-5-3-2-4-6-11/h2-9,13H,1H3,(H,16,18,19)
InChIKeyVEKBDMVIDAREBU-UHFFFAOYSA-N
XLogP2.31
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
CID 63576169
2-(difluoromethoxy)-4-methylpyridine;ethane
CID 157031932
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
N-(5-methyl-2-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 60543327
(2R)-2-methoxy-2-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5414338
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
2-(2-chloro-4-methylphenoxy)-2-phenylacetohydrazide
CID 63569668
4-methyl-2-(1-pyridin-4-ylethoxy)pyridine
CID 126954932
N-(2-acetamido-5-methylphenyl)-2-methoxy-2-phenylacetamide
CID 75475764
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 7547758

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide?
The IUPAC name of 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide (CID 145487392) is 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide.
What is the SMILES notation for 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide?
The canonical SMILES for 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide is Cc1ccnc(OC(C(=O)NN=O)c2ccccc2)c1.
What is the InChIKey of 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide?
The InChIKey is VEKBDMVIDAREBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-7-8-15-12(9-10)20-13(14(18)16-17-19)11-5-3-2-4-6-11/h2-9,13H,1H3,(H,16,18,19).
What are the key properties of 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide?
2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide has a molecular weight of 271.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-pyridinyl)oxy]-N-nitroso-2-phenylacetamide is sourced from PubChem (CID 145487392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).