ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate

C15H13N3O2 — CID 19085386

IUPACethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1cccc(C#N)c1
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)13-7-4-8-17-14(13)18-12-6-3-5-11(9-12)10-16/h3-9H,2H2,1H3,(H,17,18)
InChIKeyYENRNGPIQKEDEZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.87
Rot. Bonds4

About ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate

ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate (PubChem CID 19085386) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
PubChem CID19085386
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1cccc(C#N)c1
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)13-7-4-8-17-14(13)18-12-6-3-5-11(9-12)10-16/h3-9H,2H2,1H3,(H,17,18)
InChIKeyYENRNGPIQKEDEZ-UHFFFAOYSA-N
XLogP2.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
[2-(3-cyanoanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 3492575
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
ethyl 4-[[4-(3-cyanoanilino)pyrimidin-2-yl]amino]benzoate
CID 112906530
methyl 4-(3-cyanoanilino)pyrimidine-5-carboxylate
CID 114214005
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate
CID 26438599
ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
CID 110439896
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate
CID 134870264
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate (CID 19085386) is ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Nc1cccc(C#N)c1.
What is the InChIKey of ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate?
The InChIKey is YENRNGPIQKEDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-15(19)13-7-4-8-17-14(13)18-12-6-3-5-11(9-12)10-16/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate?
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate is sourced from PubChem (CID 19085386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).