methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate

C12H17N3O2 — CID 83841955

IUPACmethyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC2CCNCC2)n1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-3-2-4-11(15-10)14-9-5-7-13-8-6-9/h2-4,9,13H,5-8H2,1H3,(H,14,15)
InChIKeyBWUHMHDOQJOQTF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.03
Rot. Bonds3

About methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate

methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate (PubChem CID 83841955) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
PubChem CID83841955
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC2CCNCC2)n1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-3-2-4-11(15-10)14-9-5-7-13-8-6-9/h2-4,9,13H,5-8H2,1H3,(H,14,15)
InChIKeyBWUHMHDOQJOQTF-UHFFFAOYSA-N
XLogP1.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(piperidin-3-ylamino)pyridine-2-carboxylate
CID 83841956
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
CID 172829952
methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate
CID 106905056
6-(azetidin-3-ylamino)pyridine-2-carboxamide
CID 66188207
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86277771
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
CID 78996740
methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 156750199
methyl 6-cycloheptyloxypyridine-2-carboxylate
CID 86694648
4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64587755

Frequently Asked Questions

What is the IUPAC name of methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate (CID 83841955) is methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate is COC(=O)c1cccc(NC2CCNCC2)n1.
What is the InChIKey of methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate?
The InChIKey is BWUHMHDOQJOQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)10-3-2-4-11(15-10)14-9-5-7-13-8-6-9/h2-4,9,13H,5-8H2,1H3,(H,14,15).
What are the key properties of methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate?
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 83841955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).