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

C19H24N4O4 — CID 109169338

IUPACethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccnc(NCc3ccco3)c2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(25)23-9-6-15(7-10-23)22-18(24)14-5-8-20-17(12-14)21-13-16-4-3-11-27-16/h3-5,8,11-12,15H,2,6-7,9-10,13H2,1H3,(H,20,21)(H,22,24)
InChIKeyULXQTSKLFMQZON-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.64
Rot. Bonds6

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

ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109169338) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109169338
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccnc(NCc3ccco3)c2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(25)23-9-6-15(7-10-23)22-18(24)14-5-8-20-17(12-14)21-13-16-4-3-11-27-16/h3-5,8,11-12,15H,2,6-7,9-10,13H2,1H3,(H,20,21)(H,22,24)
InChIKeyULXQTSKLFMQZON-UHFFFAOYSA-N
XLogP2.64
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109165564
ethyl 4-[[6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112858584
ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109168341
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112889137
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109174202
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109155401
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8842192
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate (CID 109169338) is ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccnc(NCc3ccco3)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is ULXQTSKLFMQZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-26-19(25)23-9-6-15(7-10-23)22-18(24)14-5-8-20-17(12-14)21-13-16-4-3-11-27-16/h3-5,8,11-12,15H,2,6-7,9-10,13H2,1H3,(H,20,21)(H,22,24).
What are the key properties of ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109169338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).