ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate

C15H19N3O2 — CID 2813163

IUPACethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(N2CCCCC2)c1C#N
InChIInChI=1S/C15H19N3O2/c1-3-20-15(19)12-9-11(2)17-14(13(12)10-16)18-7-5-4-6-8-18/h9H,3-8H2,1-2H3
InChIKeyBZKPEGZGMQVKJR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.43
Rot. Bonds3

About ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate

ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate (PubChem CID 2813163) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate
PubChem CID2813163
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(N2CCCCC2)c1C#N
InChIInChI=1S/C15H19N3O2/c1-3-20-15(19)12-9-11(2)17-14(13(12)10-16)18-7-5-4-6-8-18/h9H,3-8H2,1-2H3
InChIKeyBZKPEGZGMQVKJR-UHFFFAOYSA-N
XLogP2.43
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(3-cyano-4,6-dimethylpyridin-2-yl)piperidine-4-carboxylate
CID 1474731
Methyl 2-amino-3-cyano-5,6-dimethylpyridine-4-carboxylate
CID 605487
Ethyl 5-cyano-2-(diethylamino)-6-methylnicotinate
CID 2795942
2-Hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
CID 659803
Ethyl 5-cyano-2-methyl-6-[(phenylmethyl)amino]-3-pyridinecarboxylate
CID 663782
4-(Methoxymethyl)-6-methyl-2-(piperidin-1-yl)pyridine-3-carbonitrile
CID 701914
Methyl 5-cyano-2-methyl-6-morpholinonicotinate
CID 2769087
4-(Methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
CID 785375
Methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
CID 921274
4-(Methoxymethyl)-6-methyl-2-(1-piperazinyl)nicotinonitrile
CID 926201
Ethyl 5-cyano-2-phenyl-6-piperidinonicotinate
CID 1489420
Methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 2769094

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate (CID 2813163) is ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate is CCOC(=O)c1cc(C)nc(N2CCCCC2)c1C#N.
What is the InChIKey of ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate?
The InChIKey is BZKPEGZGMQVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-15(19)12-9-11(2)17-14(13(12)10-16)18-7-5-4-6-8-18/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate?
ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-6-methyl-2-piperidin-1-ylpyridine-4-carboxylate is sourced from PubChem (CID 2813163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).