methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C15H20N2O4 — CID 115617208

IUPACmethyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccnc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-20-14-12(4-3-9-16-14)13(18)17-11-7-5-10(6-8-11)15(19)21-2/h3-4,9-11H,5-8H2,1-2H3,(H,17,18)
InChIKeyJYVLLFNGSRNKFD-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.55
Rot. Bonds4

About methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 115617208) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID115617208
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccnc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-20-14-12(4-3-9-16-14)13(18)17-11-7-5-10(6-8-11)15(19)21-2/h3-4,9-11H,5-8H2,1-2H3,(H,17,18)
InChIKeyJYVLLFNGSRNKFD-UHFFFAOYSA-N
XLogP1.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
N-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxypyridine-3-carboxamide
CID 141007488
methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617262
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide
CID 100839406
2-(2-chlorophenoxy)-N-cyclohexylpyridine-3-carboxamide
CID 56661736
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide
CID 166190921
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67185079
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
2-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276276

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 115617208) is methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cccnc2OC)CC1.
What is the InChIKey of methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is JYVLLFNGSRNKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-14-12(4-3-9-16-14)13(18)17-11-7-5-10(6-8-11)15(19)21-2/h3-4,9-11H,5-8H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115617208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).