ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate

C19H19N3O2 — CID 162523620

IUPACethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc(Nc2ccccc2C)c1C#N
InChIInChI=1S/C19H19N3O2/c1-3-24-19(23)14-10-17(13-8-9-13)22-18(15(14)11-20)21-16-7-5-4-6-12(16)2/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyCECUMWDFBRRYDW-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.06
Rot. Bonds5

About ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate

ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate (PubChem CID 162523620) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate
PubChem CID162523620
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc(Nc2ccccc2C)c1C#N
InChIInChI=1S/C19H19N3O2/c1-3-24-19(23)14-10-17(13-8-9-13)22-18(15(14)11-20)21-16-7-5-4-6-12(16)2/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyCECUMWDFBRRYDW-UHFFFAOYSA-N
XLogP4.06
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate (CID 162523620) is ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate is CCOC(=O)c1cc(C2CC2)nc(Nc2ccccc2C)c1C#N.
What is the InChIKey of ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate?
The InChIKey is CECUMWDFBRRYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-19(23)14-10-17(13-8-9-13)22-18(15(14)11-20)21-16-7-5-4-6-12(16)2/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22).
What are the key properties of ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate?
ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate is sourced from PubChem (CID 162523620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).