4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid

C14H20N2O3 — CID 122032136

IUPAC4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC2CCC(C(=O)O)CC2)c(C)n1
InChIInChI=1S/C14H20N2O3/c1-9-12(7-8-13(15-9)19-2)16-11-5-3-10(4-6-11)14(17)18/h7-8,10-11,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyXOSZQUMHHDKJBJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.45
Rot. Bonds4

About 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid

4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122032136) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122032136
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC2CCC(C(=O)O)CC2)c(C)n1
InChIInChI=1S/C14H20N2O3/c1-9-12(7-8-13(15-9)19-2)16-11-5-3-10(4-6-11)14(17)18/h7-8,10-11,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyXOSZQUMHHDKJBJ-UHFFFAOYSA-N
XLogP2.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-2,6-dimethylpyridin-3-amine
CID 103439300
4-(4-methoxy-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 60808258
[6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate
CID 175366136
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate
CID 91099582
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865
1-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 100775654
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060012
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[(1-methoxyisoquinolin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 122035055

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 122032136) is 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(NC2CCC(C(=O)O)CC2)c(C)n1.
What is the InChIKey of 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XOSZQUMHHDKJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-12(7-8-13(15-9)19-2)16-11-5-3-10(4-6-11)14(17)18/h7-8,10-11,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid?
4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122032136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).