ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate

C17H24N2O3 — CID 3144503

IUPACethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate
SMILESCCOC(=O)C(C(=O)Nc1cccc(C)n1)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)15(13-9-5-4-6-10-13)16(20)19-14-11-7-8-12(2)18-14/h7-8,11,13,15H,3-6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyCJWKXSUBMNHABH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.09
Rot. Bonds5

About ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate

ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate (PubChem CID 3144503) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate
PubChem CID3144503
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate
SMILESCCOC(=O)C(C(=O)Nc1cccc(C)n1)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)15(13-9-5-4-6-10-13)16(20)19-14-11-7-8-12(2)18-14/h7-8,11,13,15H,3-6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyCJWKXSUBMNHABH-UHFFFAOYSA-N
XLogP3.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate?
The IUPAC name of ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate (CID 3144503) is ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate?
The canonical SMILES for ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate is CCOC(=O)C(C(=O)Nc1cccc(C)n1)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate?
The InChIKey is CJWKXSUBMNHABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-17(21)15(13-9-5-4-6-10-13)16(20)19-14-11-7-8-12(2)18-14/h7-8,11,13,15H,3-6,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate?
ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate has a molecular weight of 304.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-3-[(6-methyl-2-pyridinyl)amino]-3-oxopropanoate is sourced from PubChem (CID 3144503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).