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

C20H30N4O4 — CID 109088657

IUPACethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCCCNC(=O)c1cc(C(=O)NC2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C20H30N4O4/c1-3-5-6-10-22-19(26)17-14-15(7-11-21-17)18(25)23-16-8-12-24(13-9-16)20(27)28-4-2/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBHORFRAYUBIMDZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.35
Rot. Bonds8

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

ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109088657) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109088657
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nameethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCCCNC(=O)c1cc(C(=O)NC2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C20H30N4O4/c1-3-5-6-10-22-19(26)17-14-15(7-11-21-17)18(25)23-16-8-12-24(13-9-16)20(27)28-4-2/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBHORFRAYUBIMDZ-UHFFFAOYSA-N
XLogP2.35
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.35
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-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109165564
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215838
ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109168341
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
ethyl 4-[[4-(4-methylpiperidin-1-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205297
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate (CID 109088657) is ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate is CCCCCNC(=O)c1cc(C(=O)NC2CCN(C(=O)OCC)CC2)ccn1.
What is the InChIKey of ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is BHORFRAYUBIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-3-5-6-10-22-19(26)17-14-15(7-11-21-17)18(25)23-16-8-12-24(13-9-16)20(27)28-4-2/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109088657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).