ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

C22H28N4O3 — CID 109194072

IUPACethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N(CC)c3ccccc3)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-26(18-8-6-5-7-9-18)19-10-11-20(23-16-19)21(27)24-17-12-14-25(15-13-17)22(28)29-4-2/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,24,27)
InChIKeyMSOFTZJJLSCNFS-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.59
Rot. Bonds6

About ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109194072) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109194072
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Nameethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N(CC)c3ccccc3)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-26(18-8-6-5-7-9-18)19-10-11-20(23-16-19)21(27)24-17-12-14-25(15-13-17)22(28)29-4-2/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,24,27)
InChIKeyMSOFTZJJLSCNFS-UHFFFAOYSA-N
XLogP3.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109373030
ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694
ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109184058
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
ethyl 4-[(5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109273745
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-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109194072) is ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(N(CC)c3ccccc3)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is MSOFTZJJLSCNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-26(18-8-6-5-7-9-18)19-10-11-20(23-16-19)21(27)24-17-12-14-25(15-13-17)22(28)29-4-2/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109194072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).