methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate

C15H23N3O2 — CID 115309539

IUPACmethyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(CN)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-15(19)12-8-5-9-17-14(12)18-13(10-16)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7,10,16H2,1H3,(H,17,18)
InChIKeyGRFFALPPAUFBKS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.19
Rot. Bonds5

About methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate

methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate (PubChem CID 115309539) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
PubChem CID115309539
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(CN)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-15(19)12-8-5-9-17-14(12)18-13(10-16)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7,10,16H2,1H3,(H,17,18)
InChIKeyGRFFALPPAUFBKS-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
CID 106738180
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 115309040
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
N-(1-cyclohexylpropyl)-3-methoxypyridin-2-amine
CID 113370900

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate (CID 115309539) is methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC(CN)C1CCCCC1.
What is the InChIKey of methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate?
The InChIKey is GRFFALPPAUFBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-15(19)12-8-5-9-17-14(12)18-13(10-16)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7,10,16H2,1H3,(H,17,18).
What are the key properties of methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate?
methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 115309539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).