ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate

C14H19N3O2 — CID 2795942

IUPACethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(C)nc1N(CC)CC
InChIInChI=1S/C14H19N3O2/c1-5-17(6-2)13-12(14(18)19-7-3)8-11(9-15)10(4)16-13/h8H,5-7H2,1-4H3
InChIKeyRAIPDRXZIINVDY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds5

About ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate

ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate (PubChem CID 2795942) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate
PubChem CID2795942
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(C)nc1N(CC)CC
InChIInChI=1S/C14H19N3O2/c1-5-17(6-2)13-12(14(18)19-7-3)8-11(9-15)10(4)16-13/h8H,5-7H2,1-4H3
InChIKeyRAIPDRXZIINVDY-UHFFFAOYSA-N
XLogP2.28
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate (CID 2795942) is ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(C)nc1N(CC)CC.
What is the InChIKey of ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate?
The InChIKey is RAIPDRXZIINVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-17(6-2)13-12(14(18)19-7-3)8-11(9-15)10(4)16-13/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate?
ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 2795942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).