ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate

C21H26N4O4 — CID 109194157

IUPACethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3OCC)cn2)CC1
InChIInChI=1S/C21H26N4O4/c1-3-28-19-8-6-5-7-17(19)23-16-9-10-18(22-15-16)20(26)24-11-13-25(14-12-24)21(27)29-4-2/h5-10,15,23H,3-4,11-14H2,1-2H3
InChIKeyGHLLCVBGZCSODW-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.14
Rot. Bonds6

About ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 109194157) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
PubChem CID109194157
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Nameethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3OCC)cn2)CC1
InChIInChI=1S/C21H26N4O4/c1-3-28-19-8-6-5-7-17(19)23-16-9-10-18(22-15-16)20(26)24-11-13-25(14-12-24)21(27)29-4-2/h5-10,15,23H,3-4,11-14H2,1-2H3
InChIKeyGHLLCVBGZCSODW-UHFFFAOYSA-N
XLogP3.14
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154
ethyl 4-[5-(2,5-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194137
ethyl 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194138
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
5-(2-ethoxyanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197177
[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203739
5-(2-ethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197592
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261901
[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204483
N-(3,4-dimethylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109198092
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate (CID 109194157) is ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3OCC)cn2)CC1.
What is the InChIKey of ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is GHLLCVBGZCSODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-28-19-8-6-5-7-17(19)23-16-9-10-18(22-15-16)20(26)24-11-13-25(14-12-24)21(27)29-4-2/h5-10,15,23H,3-4,11-14H2,1-2H3.
What are the key properties of ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109194157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).