methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate

C16H22N2O4 — CID 71845332

IUPACmethyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cn2cccc(C)c2=O)CCCCC1
InChIInChI=1S/C16H22N2O4/c1-12-7-6-10-18(14(12)20)11-13(19)17-16(15(21)22-2)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyPKDLNGIQLBHAKG-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.15
Rot. Bonds4

About methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate

methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 71845332) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID71845332
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cn2cccc(C)c2=O)CCCCC1
InChIInChI=1S/C16H22N2O4/c1-12-7-6-10-18(14(12)20)11-13(19)17-16(15(21)22-2)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyPKDLNGIQLBHAKG-UHFFFAOYSA-N
XLogP1.15
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate (CID 71845332) is methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)Cn2cccc(C)c2=O)CCCCC1.
What is the InChIKey of methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is PKDLNGIQLBHAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12-7-6-10-18(14(12)20)11-13(19)17-16(15(21)22-2)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 71845332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).