ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate

C21H18N4O3 — CID 70924888

IUPACethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(N)c(C#N)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H18N4O3/c1-2-27-21(26)14-8-10-15(11-9-14)24-19-12-18(23)17(13-22)20(25-19)28-16-6-4-3-5-7-16/h3-12H,2H2,1H3,(H3,23,24,25)
InChIKeyYVXIBSWSUVQXOE-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.25
Rot. Bonds6

About ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate

ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate (PubChem CID 70924888) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
PubChem CID70924888
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Nameethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(N)c(C#N)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H18N4O3/c1-2-27-21(26)14-8-10-15(11-9-14)24-19-12-18(23)17(13-22)20(25-19)28-16-6-4-3-5-7-16/h3-12H,2H2,1H3,(H3,23,24,25)
InChIKeyYVXIBSWSUVQXOE-UHFFFAOYSA-N
XLogP4.25
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate with MolForge

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Related Compounds

4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
CID 143926924
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
CID 143926752
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
4-amino-6-[4-(1,3-oxazol-5-yl)anilino]-2-phenoxypyridine-3-carbonitrile
CID 70924698
4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile
CID 143926928
4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
CID 143926739
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
CID 70924988
4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
CID 70924880
ethyl 4-[[6-(4-cyanoanilino)pyrimidin-4-yl]amino]benzoate
CID 112867089
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]benzoate
CID 112961606

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate (CID 70924888) is ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate is CCOC(=O)c1ccc(Nc2cc(N)c(C#N)c(Oc3ccccc3)n2)cc1.
What is the InChIKey of ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate?
The InChIKey is YVXIBSWSUVQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-27-21(26)14-8-10-15(11-9-14)24-19-12-18(23)17(13-22)20(25-19)28-16-6-4-3-5-7-16/h3-12H,2H2,1H3,(H3,23,24,25).
What are the key properties of ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate?
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate has a molecular weight of 374.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate is sourced from PubChem (CID 70924888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).