methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate

C15H22N2O2 — CID 62407549

IUPACmethyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-7-4-3-5-8-12)17-14-13(15(18)19-2)9-6-10-16-14/h6,9-12H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyVKGJCNMNEPIVDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.25
Rot. Bonds4

About methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate

methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate (PubChem CID 62407549) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
PubChem CID62407549
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-7-4-3-5-8-12)17-14-13(15(18)19-2)9-6-10-16-14/h6,9-12H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyVKGJCNMNEPIVDM-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
CID 115309539
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 62406132
methyl 2-amino-3-(1-cyclopentylethylamino)benzoate
CID 113333032
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
CID 106738180

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate (CID 62407549) is methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1NC(C)C1CCCCC1.
What is the InChIKey of methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate?
The InChIKey is VKGJCNMNEPIVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-7-4-3-5-8-12)17-14-13(15(18)19-2)9-6-10-16-14/h6,9-12H,3-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate?
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 62407549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).