ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate

C14H18N4O2 — CID 24710040

IUPACethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncccc2C#N)CC1
InChIInChI=1S/C14H18N4O2/c1-2-20-14(19)18-8-5-12(6-9-18)17-13-11(10-15)4-3-7-16-13/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyIQBSTWYYRWLJSH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.99
Rot. Bonds3

About ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 24710040) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID24710040
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncccc2C#N)CC1
InChIInChI=1S/C14H18N4O2/c1-2-20-14(19)18-8-5-12(6-9-18)17-13-11(10-15)4-3-7-16-13/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyIQBSTWYYRWLJSH-UHFFFAOYSA-N
XLogP1.99
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-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

2-[[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 94813354
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
[5-[amino(oxido)amino]-2-adamantyl] 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 163737924
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
ethyl 4-[[3-(2-cyano-3-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
CID 118772494
(5-methoxycarbonyl-2-adamantyl) 3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 67155519

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate (CID 24710040) is ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ncccc2C#N)CC1.
What is the InChIKey of ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is IQBSTWYYRWLJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-20-14(19)18-8-5-12(6-9-18)17-13-11(10-15)4-3-7-16-13/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 24710040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).