methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C14H18N2O4 — CID 47141715

IUPACmethyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C14H18N2O4/c1-20-13(19)14(7-3-2-4-8-14)16-12(18)10-5-6-11(17)15-9-10/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyVMJHFCLNZNXYFX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.98
Rot. Bonds3

About methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 47141715) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID47141715
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C14H18N2O4/c1-20-13(19)14(7-3-2-4-8-14)16-12(18)10-5-6-11(17)15-9-10/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyVMJHFCLNZNXYFX-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

Methyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate
CID 32982819
1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350918
Methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
CID 71845332
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
methyl 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 57672828
Methyl 1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67519854
Methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 67519879
Methyl 1-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67519989
Methyl 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67520162
Methyl 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67520227
Methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67520456
methyl 1-[[(E)-2-(ethenylcarbamoyl)but-2-enoyl]amino]cyclohexane-1-carboxylate
CID 68343778

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 47141715) is methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(=O)[nH]c2)CCCCC1.
What is the InChIKey of methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is VMJHFCLNZNXYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-13(19)14(7-3-2-4-8-14)16-12(18)10-5-6-11(17)15-9-10/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 47141715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).