4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 43360617

IUPAC4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2ccn(C)c(=O)c2)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-10-3-6-15(7-4-10,14(20)21)16-13(19)11-5-8-17(2)12(18)9-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyUEJUOUSJRVYMJX-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.15
Rot. Bonds3

About 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43360617) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43360617
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2ccn(C)c(=O)c2)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-10-3-6-15(7-4-10,14(20)21)16-13(19)11-5-8-17(2)12(18)9-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyUEJUOUSJRVYMJX-UHFFFAOYSA-N
XLogP1.15
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-Butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70691826
1-[[2-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 71942702
1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350918
Methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate
CID 75535774
1-(2-Oxo-1,2-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24691617
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
1-[[6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 69472746
1-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69475510
1-[[6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 143720861
1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24691815
1-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43169520
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-amido)cycloheptane-1-carboxylic acid
CID 43172632

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43360617) is 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)c2ccn(C)c(=O)c2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UEJUOUSJRVYMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-3-6-15(7-4-10,14(20)21)16-13(19)11-5-8-17(2)12(18)9-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43360617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).