ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate

C19H19N3O2 — CID 1489419

IUPACethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-24-19(23)16-12-15(13-20)18(22-10-6-7-11-22)21-17(16)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyGFUDANSRLIMMGG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.40
Rot. Bonds4

About ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate

ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 1489419) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID1489419
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-24-19(23)16-12-15(13-20)18(22-10-6-7-11-22)21-17(16)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyGFUDANSRLIMMGG-UHFFFAOYSA-N
XLogP3.40
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-amino-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 3808295
Methyl 6-(benzylamino)-5-cyano-2-methylpyridine-3-carboxylate
CID 1471725
2-[3-(2-Methyl-allyl)-thioureido]-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid ethyl ester
CID 3751938
Ethyl 5-cyano-6-[4-({[1-(3-isopropenylphenyl)-1-methylethyl]amino}carbonyl)-piperazin-1-yl]-2-(trifluoromethyl)nicotinate
CID 24750874
Ethyl 5-cyano-6-(4-{[(2-phenylethyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24751297
Ethyl 5-cyano-6-[4-({[(1S)-1-phenylethyl]amino}carbonyl)piperazin-1-yl]-2-(trifluoro-methyl)nicotinate
CID 24752131
Ethyl 5-cyano-6-(4-{[(2-methylbenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752270
Ethyl 5-cyano-6-(4-{[(3-methylbenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752419
Ethyl 5-cyano-6-(4-{[(4-methylbenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752420
Ethyl 6-{4-[(benzylamino)carbonyl]piperazin-1-yl}-5-cyano-2-(trifluoromethyl)nicotinate
CID 24752561
Ethyl 5-cyano-6-(4-{[(3-fluorobenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752711
Ethyl 5-cyano-6-(4-{[(4-fluorobenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoro-methyl)nicotinate
CID 53233471

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate (CID 1489419) is ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(N2CCCC2)nc1-c1ccccc1.
What is the InChIKey of ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is GFUDANSRLIMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-24-19(23)16-12-15(13-20)18(22-10-6-7-11-22)21-17(16)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate?
ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 1489419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).