ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate

C10H14N2O2 — CID 118366162

IUPACethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(CN)c1
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)9-4-8(5-11)7(2)12-6-9/h4,6H,3,5,11H2,1-2H3
InChIKeyKQNFTYICQCGYRR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds3

About ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate

ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate (PubChem CID 118366162) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
PubChem CID118366162
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(CN)c1
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)9-4-8(5-11)7(2)12-6-9/h4,6H,3,5,11H2,1-2H3
InChIKeyKQNFTYICQCGYRR-UHFFFAOYSA-N
XLogP1.03
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
ethyl 5,8-dioxoquinoline-3-carboxylate
CID 11053454
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate
CID 154776202

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate (CID 118366162) is ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(CN)c1.
What is the InChIKey of ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is KQNFTYICQCGYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-10(13)9-4-8(5-11)7(2)12-6-9/h4,6H,3,5,11H2,1-2H3.
What are the key properties of ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate?
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 118366162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).