methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C14H18N2O4 — CID 115617262

IUPACmethyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-20-14(19)9-4-6-10(7-5-9)16-13(18)11-3-2-8-15-12(11)17/h2-3,8-10H,4-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyZBQLSQQXMLUDSL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.84
Rot. Bonds3

About methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 115617262) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID115617262
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-20-14(19)9-4-6-10(7-5-9)16-13(18)11-3-2-8-15-12(11)17/h2-3,8-10H,4-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyZBQLSQQXMLUDSL-UHFFFAOYSA-N
XLogP0.84
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126934601
2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 47441631
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707
N-(2-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 62365088
methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103865460
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate
CID 157017891
methyl 4-[(2-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103581955

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 115617262) is methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is ZBQLSQQXMLUDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-14(19)9-4-6-10(7-5-9)16-13(18)11-3-2-8-15-12(11)17/h2-3,8-10H,4-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115617262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).