ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

C18H26N4O4 — CID 109093479

IUPACethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)c1cccc(C(=O)NC2CCN(C(=O)OCC)CC2)n1
InChIInChI=1S/C18H26N4O4/c1-3-10-19-16(23)14-6-5-7-15(21-14)17(24)20-13-8-11-22(12-9-13)18(25)26-4-2/h5-7,13H,3-4,8-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyVPNCOZPCTMXAKV-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.57
Rot. Bonds6

About ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109093479) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109093479
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)c1cccc(C(=O)NC2CCN(C(=O)OCC)CC2)n1
InChIInChI=1S/C18H26N4O4/c1-3-10-19-16(23)14-6-5-7-15(21-14)17(24)20-13-8-11-22(12-9-13)18(25)26-4-2/h5-7,13H,3-4,8-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyVPNCOZPCTMXAKV-UHFFFAOYSA-N
XLogP1.57
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[6-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109095151
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
ethyl 4-[[4-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109295773
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(3-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109310198
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109093479) is ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCCNC(=O)c1cccc(C(=O)NC2CCN(C(=O)OCC)CC2)n1.
What is the InChIKey of ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is VPNCOZPCTMXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-10-19-16(23)14-6-5-7-15(21-14)17(24)20-13-8-11-22(12-9-13)18(25)26-4-2/h5-7,13H,3-4,8-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109093479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).