ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate

C13H20N2O2 — CID 55108410

IUPACethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)CC)nc1
InChIInChI=1S/C13H20N2O2/c1-4-10(3)8-14-12-7-6-11(9-15-12)13(16)17-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyWBISLTWUGVIJOL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.72
Rot. Bonds6

About ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate

ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate (PubChem CID 55108410) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
PubChem CID55108410
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)CC)nc1
InChIInChI=1S/C13H20N2O2/c1-4-10(3)8-14-12-7-6-11(9-15-12)13(16)17-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyWBISLTWUGVIJOL-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
ethyl 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyridine-3-carboxylate
CID 31536134
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate (CID 55108410) is ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC(C)CC)nc1.
What is the InChIKey of ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate?
The InChIKey is WBISLTWUGVIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(3)8-14-12-7-6-11(9-15-12)13(16)17-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate?
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate is sourced from PubChem (CID 55108410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).