ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate

C15H24N2O2 — CID 67273917

IUPACethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C)nc1NCCC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-19-14(18)12-8-7-11(2)17-13(12)16-10-9-15(3,4)5/h7-8H,6,9-10H2,1-5H3,(H,16,17)
InChIKeyXFHKMVIEUQHXGT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.41
Rot. Bonds5

About ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate

ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate (PubChem CID 67273917) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate
PubChem CID67273917
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C)nc1NCCC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-19-14(18)12-8-7-11(2)17-13(12)16-10-9-15(3,4)5/h7-8H,6,9-10H2,1-5H3,(H,16,17)
InChIKeyXFHKMVIEUQHXGT-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-acetamido-6-methylpyridine-3-carboxylate
CID 12910047
ethyl 2-formyl-6-methylpyridine-3-carboxylate
CID 112757143
ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
CID 12887749
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
ethyl 4-[(3-amino-6-methyl-2-pyridinyl)amino]butanoate
CID 81132121
ethyl 4-(butylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 10563922
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
CID 55223076
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 4-(2-methoxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 3833880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate (CID 67273917) is ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C)nc1NCCC(C)(C)C.
What is the InChIKey of ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate?
The InChIKey is XFHKMVIEUQHXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-19-14(18)12-8-7-11(2)17-13(12)16-10-9-15(3,4)5/h7-8H,6,9-10H2,1-5H3,(H,16,17).
What are the key properties of ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate?
ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 67273917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).