ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate

C20H21N3O4 — CID 22302260

IUPACethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate
SMILESCCOC(=O)CNc1ccccc1C(=O)COc1nc(C)cc(C)c1C#N
InChIInChI=1S/C20H21N3O4/c1-4-26-19(25)11-22-17-8-6-5-7-15(17)18(24)12-27-20-16(10-21)13(2)9-14(3)23-20/h5-9,22H,4,11-12H2,1-3H3
InChIKeyQLOBCMQFTKRKDU-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.81
Rot. Bonds8

About ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate

ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate (PubChem CID 22302260) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate
PubChem CID22302260
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Nameethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate
SMILESCCOC(=O)CNc1ccccc1C(=O)COc1nc(C)cc(C)c1C#N
InChIInChI=1S/C20H21N3O4/c1-4-26-19(25)11-22-17-8-6-5-7-15(17)18(24)12-27-20-16(10-21)13(2)9-14(3)23-20/h5-9,22H,4,11-12H2,1-3H3
InChIKeyQLOBCMQFTKRKDU-UHFFFAOYSA-N
XLogP2.81
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate with MolForge

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Related Compounds

ethyl 2-(3-bromo-2-cyanoanilino)acetate
CID 114880656
ethyl 2-[N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]-3-(trifluoromethyl)anilino]acetate
CID 2817099
ethyl 2-(2-ethylanilino)acetate
CID 28583397
4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349314
N-(5-cyano-6-ethoxy-4-methyl-2-pyridinyl)acetamide
CID 11622644
methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
CID 891684
methyl 2-(2-cyano-3-methylanilino)acetate
CID 107799414
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide
CID 714514
ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate
CID 14368914
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate
CID 130194329
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate?
The IUPAC name of ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate (CID 22302260) is ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate?
The canonical SMILES for ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate is CCOC(=O)CNc1ccccc1C(=O)COc1nc(C)cc(C)c1C#N.
What is the InChIKey of ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate?
The InChIKey is QLOBCMQFTKRKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-26-19(25)11-22-17-8-6-5-7-15(17)18(24)12-27-20-16(10-21)13(2)9-14(3)23-20/h5-9,22H,4,11-12H2,1-3H3.
What are the key properties of ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate?
ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate has a molecular weight of 367.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl]anilino]acetate is sourced from PubChem (CID 22302260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).