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

C17H26N4O4 — CID 109184058

IUPACethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(NCCOC)cn2)CC1
InChIInChI=1S/C17H26N4O4/c1-3-25-17(23)21-9-6-13(7-10-21)20-16(22)15-5-4-14(12-19-15)18-8-11-24-2/h4-5,12-13,18H,3,6-11H2,1-2H3,(H,20,22)
InChIKeyOJOIPNNBZDUDPX-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.49
Rot. Bonds7

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

ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109184058) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109184058
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nameethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(NCCOC)cn2)CC1
InChIInChI=1S/C17H26N4O4/c1-3-25-17(23)21-9-6-13(7-10-21)20-16(22)15-5-4-14(12-19-15)18-8-11-24-2/h4-5,12-13,18H,3,6-11H2,1-2H3,(H,20,22)
InChIKeyOJOIPNNBZDUDPX-UHFFFAOYSA-N
XLogP1.49
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694
ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194103
ethyl 4-[[6-[(2,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194100
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
ethyl 4-[[4-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109295773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109184058) is ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(NCCOC)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is OJOIPNNBZDUDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-25-17(23)21-9-6-13(7-10-21)20-16(22)15-5-4-14(12-19-15)18-8-11-24-2/h4-5,12-13,18H,3,6-11H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109184058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).