ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate

C18H28N4O3 — CID 109165564

IUPACethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCCNc1cc(C(=O)NC2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C18H28N4O3/c1-3-5-9-19-16-13-14(6-10-20-16)17(23)21-15-7-11-22(12-8-15)18(24)25-4-2/h6,10,13,15H,3-5,7-9,11-12H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyMOIWTFROWDRHEK-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.64
Rot. Bonds7

About ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109165564) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109165564
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCCNc1cc(C(=O)NC2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C18H28N4O3/c1-3-5-9-19-16-13-14(6-10-20-16)17(23)21-15-7-11-22(12-8-15)18(24)25-4-2/h6,10,13,15H,3-5,7-9,11-12H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyMOIWTFROWDRHEK-UHFFFAOYSA-N
XLogP2.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109168341
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109339864
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109174202
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
ethyl 4-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109361602
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(butylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883042
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate (CID 109165564) is ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate is CCCCNc1cc(C(=O)NC2CCN(C(=O)OCC)CC2)ccn1.
What is the InChIKey of ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is MOIWTFROWDRHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-5-9-19-16-13-14(6-10-20-16)17(23)21-15-7-11-22(12-8-15)18(24)25-4-2/h6,10,13,15H,3-5,7-9,11-12H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109165564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).