tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate

C15H24N4O2 — CID 22293217

IUPACtert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cccnc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)18-12-5-4-8-17-13(12)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,16,17)
InChIKeyNRYFFLQIEZSPBO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 22293217) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID22293217
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cccnc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)18-12-5-4-8-17-13(12)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,16,17)
InChIKeyNRYFFLQIEZSPBO-UHFFFAOYSA-N
XLogP2.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(2-amino-3-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

Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
CID 24894151
2-(Boc-amino)pyridine
CID 11206349
tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
CID 11737525
tert-Butyl 4-(5-nitropyridin-2-yl)piperazine-1-carboxylate
CID 16217943
tert-butyl N-(5-aminopyridin-2-yl)carbamate
CID 22064440
1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride
CID 22293181
Tert-butyl 4-[2-[[(4-fluorophenyl)-[2-(propan-2-ylamino)pyrimidin-4-yl]carbamoyl]amino]ethyl]piperazine-1-carboxylate
CID 44413065
1-(Piperidin-2-ylmethyl)-3-pyridin-3-ylimidazolidin-2-one
CID 46881467
1-Pyridin-2-yl-3-pyridin-3-ylurea
CID 783846
1-(1-Propionylpiperidin-4-yl)-3-(pyridin-3-yl)urea
CID 49782796
(1-Pyridin-2-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
CID 89487574

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate (CID 22293217) is tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cccnc2N)CC1.
What is the InChIKey of tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is NRYFFLQIEZSPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)18-12-5-4-8-17-13(12)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,16,17).
What are the key properties of tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 22293217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).