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

C21H23N5O3 — CID 109194079

IUPACethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3C#N)cn2)CC1
InChIInChI=1S/C21H23N5O3/c1-2-29-21(28)26-11-9-16(10-12-26)25-20(27)19-8-7-17(14-23-19)24-18-6-4-3-5-15(18)13-22/h3-8,14,16,24H,2,9-12H2,1H3,(H,25,27)
InChIKeyYYQBZKZCOCZRCS-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.05
Rot. Bonds5

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

ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109194079) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109194079
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Nameethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3C#N)cn2)CC1
InChIInChI=1S/C21H23N5O3/c1-2-29-21(28)26-11-9-16(10-12-26)25-20(27)19-8-7-17(14-23-19)24-18-6-4-3-5-15(18)13-22/h3-8,14,16,24H,2,9-12H2,1H3,(H,25,27)
InChIKeyYYQBZKZCOCZRCS-UHFFFAOYSA-N
XLogP3.05
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066
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-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate
CID 109028898
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109183409
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186076
N-cyclopentyl-5-(2-methylanilino)pyridine-2-carboxamide
CID 109182241
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109194079) is ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3C#N)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is YYQBZKZCOCZRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-2-29-21(28)26-11-9-16(10-12-26)25-20(27)19-8-7-17(14-23-19)24-18-6-4-3-5-15(18)13-22/h3-8,14,16,24H,2,9-12H2,1H3,(H,25,27).
What are the key properties of ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 393.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109194079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).