2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide

C17H19N3O5 — CID 123900698

IUPAC2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOC(C(N)=O)c1cc(COc2ccc([N+](=O)[O-])c(C)c2C)ccn1
InChIInChI=1S/C17H19N3O5/c1-10-11(2)15(5-4-14(10)20(22)23)25-9-12-6-7-19-13(8-12)16(24-3)17(18)21/h4-8,16H,9H2,1-3H3,(H2,18,21)
InChIKeyVGYKABKDNYGZFK-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.36
Rot. Bonds7

About 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide

2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 123900698) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound Name2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
PubChem CID123900698
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOC(C(N)=O)c1cc(COc2ccc([N+](=O)[O-])c(C)c2C)ccn1
InChIInChI=1S/C17H19N3O5/c1-10-11(2)15(5-4-14(10)20(22)23)25-9-12-6-7-19-13(8-12)16(24-3)17(18)21/h4-8,16H,9H2,1-3H3,(H2,18,21)
InChIKeyVGYKABKDNYGZFK-UHFFFAOYSA-N
XLogP2.36
TPSA117.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.36
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

4-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63885173
N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
CID 67451741
2-(2,3-dimethyl-4-nitrophenoxy)ethanamine
CID 82673085
4-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466940
[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465352
2-[(2-methyl-3-nitrophenoxy)methyl]pyridin-4-amine
CID 79250743
4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 62464439
4-[(2-methoxy-4-methylphenoxy)methyl]-2-nitroaniline
CID 62195314
4-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884634
4-[(4-bromo-2-nitrophenoxy)methyl]-2-chloropyridine
CID 65429777
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide
CID 118309220

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide (CID 123900698) is 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide is COC(C(N)=O)c1cc(COc2ccc([N+](=O)[O-])c(C)c2C)ccn1.
What is the InChIKey of 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is VGYKABKDNYGZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-10-11(2)15(5-4-14(10)20(22)23)25-9-12-6-7-19-13(8-12)16(24-3)17(18)21/h4-8,16H,9H2,1-3H3,(H2,18,21).
What are the key properties of 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 345.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 123900698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).