ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate

C19H28N4O4 — CID 109102342

IUPACethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cncc(C(=O)NC(C)CC)c2)CC1
InChIInChI=1S/C19H28N4O4/c1-4-13(3)21-17(24)14-10-15(12-20-11-14)18(25)22-16-6-8-23(9-7-16)19(26)27-5-2/h10-13,16H,4-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySPOCKXSTRVYYAM-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.96
Rot. Bonds6

About ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109102342) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109102342
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nameethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cncc(C(=O)NC(C)CC)c2)CC1
InChIInChI=1S/C19H28N4O4/c1-4-13(3)21-17(24)14-10-15(12-20-11-14)18(25)22-16-6-8-23(9-7-16)19(26)27-5-2/h10-13,16H,4-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySPOCKXSTRVYYAM-UHFFFAOYSA-N
XLogP1.96
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
ethyl 4-[[5-(2-methylpropylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109224977
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109238228
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109238248
ethyl 4-[[5-[(2-methylphenyl)methylamino]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109232111
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109235079
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[[N'-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328593

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 109102342) is ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cncc(C(=O)NC(C)CC)c2)CC1.
What is the InChIKey of ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is SPOCKXSTRVYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-4-13(3)21-17(24)14-10-15(12-20-11-14)18(25)22-16-6-8-23(9-7-16)19(26)27-5-2/h10-13,16H,4-9H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109102342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).