ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate

C18H19N3O2 — CID 3644194

IUPACethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate
SMILESCCCNc1nc(-c2ccccc2)c(C(=O)OCC)cc1C#N
InChIInChI=1S/C18H19N3O2/c1-3-10-20-17-14(12-19)11-15(18(22)23-4-2)16(21-17)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyJTVROUJNGJVMLQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.62
Rot. Bonds6

About ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate

ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate (PubChem CID 3644194) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate
PubChem CID3644194
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate
SMILESCCCNc1nc(-c2ccccc2)c(C(=O)OCC)cc1C#N
InChIInChI=1S/C18H19N3O2/c1-3-10-20-17-14(12-19)11-15(18(22)23-4-2)16(21-17)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyJTVROUJNGJVMLQ-UHFFFAOYSA-N
XLogP3.62
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate (CID 3644194) is ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate is CCCNc1nc(-c2ccccc2)c(C(=O)OCC)cc1C#N.
What is the InChIKey of ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate?
The InChIKey is JTVROUJNGJVMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-10-20-17-14(12-19)11-15(18(22)23-4-2)16(21-17)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate?
ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate is sourced from PubChem (CID 3644194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).