methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate

C14H20N2O2 — CID 60722333

IUPACmethyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CCCCC1C
InChIInChI=1S/C14H20N2O2/c1-10-6-3-4-8-12(10)16-13-11(14(17)18-2)7-5-9-15-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyNVFMJFFRQARBIS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate

methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate (PubChem CID 60722333) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
PubChem CID60722333
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CCCCC1C
InChIInChI=1S/C14H20N2O2/c1-10-6-3-4-8-12(10)16-13-11(14(17)18-2)7-5-9-15-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyNVFMJFFRQARBIS-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
methyl 3-amino-2-[(2-methylcycloheptyl)amino]benzoate
CID 115935200
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
2-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 63278381
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate (CID 60722333) is methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC1CCCCC1C.
What is the InChIKey of methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate?
The InChIKey is NVFMJFFRQARBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-6-3-4-8-12(10)16-13-11(14(17)18-2)7-5-9-15-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate?
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 60722333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).