2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate

C13H20N2O2 — CID 82930895

IUPAC2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCCC(CC)COC(=O)c1cc(N)cnc1C
InChIInChI=1S/C13H20N2O2/c1-4-10(5-2)8-17-13(16)12-6-11(14)7-15-9(12)3/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyZSSGYYIXFSXXKH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.57
Rot. Bonds5

About 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate

2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 82930895) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
PubChem CID82930895
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCCC(CC)COC(=O)c1cc(N)cnc1C
InChIInChI=1S/C13H20N2O2/c1-4-10(5-2)8-17-13(16)12-6-11(14)7-15-9(12)3/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyZSSGYYIXFSXXKH-UHFFFAOYSA-N
XLogP2.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate
CID 61490232
(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate
CID 61321689
2-ethylbutyl 5-amino-2,3-dichlorobenzoate
CID 107199210
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 54961483
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
thiophen-3-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323017
2-ethylbutyl 3,5-diaminobenzoate
CID 82929650
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323202
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate (CID 82930895) is 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate is CCC(CC)COC(=O)c1cc(N)cnc1C.
What is the InChIKey of 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is ZSSGYYIXFSXXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(5-2)8-17-13(16)12-6-11(14)7-15-9(12)3/h6-7,10H,4-5,8,14H2,1-3H3.
What are the key properties of 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate?
2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 82930895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).