ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate

C17H15N3O4 — CID 168522708

IUPACethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cccc(NC(=O)CC#N)c2)c1
InChIInChI=1S/C17H15N3O4/c1-2-23-17(22)12-7-9-19-16(10-12)24-14-5-3-4-13(11-14)20-15(21)6-8-18/h3-5,7,9-11H,2,6H2,1H3,(H,20,21)
InChIKeyJVGMWMWNIACVCK-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.90
Rot. Bonds6

About ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate

ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate (PubChem CID 168522708) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
PubChem CID168522708
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Nameethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cccc(NC(=O)CC#N)c2)c1
InChIInChI=1S/C17H15N3O4/c1-2-23-17(22)12-7-9-19-16(10-12)24-14-5-3-4-13(11-14)20-15(21)6-8-18/h3-5,7,9-11H,2,6H2,1H3,(H,20,21)
InChIKeyJVGMWMWNIACVCK-UHFFFAOYSA-N
XLogP2.90
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879
ethyl 2-[3-[(2-cyanoacetyl)amino]phenyl]sulfanylpyridine-4-carboxylate
CID 168522046
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832
ethyl 2-(3-azidophenoxy)pyridine-4-carboxylate
CID 169325853
ethyl 2-[3-[(1-amino-2-chloroethylidene)amino]phenoxy]pyridine-4-carboxylate
CID 169368008
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244
methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
CID 168652704
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
ethyl 3-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate
CID 39945920
2-cyano-N-[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]acetamide
CID 59491552
ethyl 5-[(2-cyanoacetyl)amino]-2-hydroxybenzoate
CID 122149816
2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
CID 106486567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate (CID 168522708) is ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate is CCOC(=O)c1ccnc(Oc2cccc(NC(=O)CC#N)c2)c1.
What is the InChIKey of ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate?
The InChIKey is JVGMWMWNIACVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-23-17(22)12-7-9-19-16(10-12)24-14-5-3-4-13(11-14)20-15(21)6-8-18/h3-5,7,9-11H,2,6H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate?
ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate is sourced from PubChem (CID 168522708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).