ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate

C21H26N4O3 — CID 109160325

IUPACethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccc(CC)cc3)nc2)CC1
InChIInChI=1S/C21H26N4O3/c1-3-16-5-8-18(9-6-16)23-19-10-7-17(15-22-19)20(26)24-11-13-25(14-12-24)21(27)28-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,23)
InChIKeyMFPHMFXNWAGXKE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.30
Rot. Bonds5

About ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 109160325) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID109160325
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nameethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccc(CC)cc3)nc2)CC1
InChIInChI=1S/C21H26N4O3/c1-3-16-5-8-18(9-6-16)23-19-10-7-17(15-22-19)20(26)24-11-13-25(14-12-24)21(27)28-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,23)
InChIKeyMFPHMFXNWAGXKE-UHFFFAOYSA-N
XLogP3.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
ethyl 4-[6-(4-ethylanilino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352871
ethyl 4-[6-(2,3-dimethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160323
ethyl 4-[6-(2-chloroanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160333
[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109154844
ethyl 4-[6-(3-phenylpropylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160302
ethyl 4-[2-(4-propan-2-ylanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261894
ethyl 4-[6-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109157674
ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109161686
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109174202
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162871

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate (CID 109160325) is ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccc(CC)cc3)nc2)CC1.
What is the InChIKey of ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is MFPHMFXNWAGXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-16-5-8-18(9-6-16)23-19-10-7-17(15-22-19)20(26)24-11-13-25(14-12-24)21(27)28-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109160325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).