2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid

C16H24N2O3 — CID 166274894

IUPAC2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid
SMILESCOc1ccc(CNC2(CC(=O)O)CCCCC2)c(C)n1
InChIInChI=1S/C16H24N2O3/c1-12-13(6-7-14(18-12)21-2)11-17-16(10-15(19)20)8-4-3-5-9-16/h6-7,17H,3-5,8-11H2,1-2H3,(H,19,20)
InChIKeyHWYZHGPLSBCFEP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.67
Rot. Bonds6

About 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid

2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid (PubChem CID 166274894) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid
PubChem CID166274894
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid
SMILESCOc1ccc(CNC2(CC(=O)O)CCCCC2)c(C)n1
InChIInChI=1S/C16H24N2O3/c1-12-13(6-7-14(18-12)21-2)11-17-16(10-15(19)20)8-4-3-5-9-16/h6-7,17H,3-5,8-11H2,1-2H3,(H,19,20)
InChIKeyHWYZHGPLSBCFEP-UHFFFAOYSA-N
XLogP2.67
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid with MolForge

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Related Compounds

[1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol
CID 159267558
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469
2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid
CID 79843985
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100770896
2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 66286602
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
3-(6-methoxy-2-methyl-3-pyridinyl)propanal
CID 75406697
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid (CID 166274894) is 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid is COc1ccc(CNC2(CC(=O)O)CCCCC2)c(C)n1.
What is the InChIKey of 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid?
The InChIKey is HWYZHGPLSBCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-13(6-7-14(18-12)21-2)11-17-16(10-15(19)20)8-4-3-5-9-16/h6-7,17H,3-5,8-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid?
2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methoxy-2-methyl-3-pyridinyl)methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 166274894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).