methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate

C15H24N2O3 — CID 103880124

IUPACmethyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
SMILESCCC(CC)C(O)CNc1ccc(C(=O)OC)c(C)n1
InChIInChI=1S/C15H24N2O3/c1-5-11(6-2)13(18)9-16-14-8-7-12(10(3)17-14)15(19)20-4/h7-8,11,13,18H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyQVCWYLANRORPCZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.39
Rot. Bonds7

About methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate

methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate (PubChem CID 103880124) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
PubChem CID103880124
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
SMILESCCC(CC)C(O)CNc1ccc(C(=O)OC)c(C)n1
InChIInChI=1S/C15H24N2O3/c1-5-11(6-2)13(18)9-16-14-8-7-12(10(3)17-14)15(19)20-4/h7-8,11,13,18H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyQVCWYLANRORPCZ-UHFFFAOYSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82683374
methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate
CID 115899359
methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
methyl 6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylpyridine-3-carboxylate
CID 103111674
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
methyl 6-[[2-(4-bromophenyl)-2-hydroxybutyl]amino]-2-methylpyridine-3-carboxylate
CID 133420288
methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate
CID 133418535
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
methyl 2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 104695958

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate (CID 103880124) is methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate is CCC(CC)C(O)CNc1ccc(C(=O)OC)c(C)n1.
What is the InChIKey of methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate?
The InChIKey is QVCWYLANRORPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-11(6-2)13(18)9-16-14-8-7-12(10(3)17-14)15(19)20-4/h7-8,11,13,18H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate?
methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 103880124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).