ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate

C14H23N3O3 — CID 79386492

IUPACethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N(CC)CC(C)(C)O)c1N
InChIInChI=1S/C14H23N3O3/c1-5-17(9-14(3,4)19)12-11(15)10(7-8-16-12)13(18)20-6-2/h7-8,19H,5-6,9,15H2,1-4H3
InChIKeyPXBFJUUTOREZPP-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.44
Rot. Bonds6

About ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate

ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate (PubChem CID 79386492) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
PubChem CID79386492
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N(CC)CC(C)(C)O)c1N
InChIInChI=1S/C14H23N3O3/c1-5-17(9-14(3,4)19)12-11(15)10(7-8-16-12)13(18)20-6-2/h7-8,19H,5-6,9,15H2,1-4H3
InChIKeyPXBFJUUTOREZPP-UHFFFAOYSA-N
XLogP1.44
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 106876362
ethyl 3-amino-2-[methyl(2-methylsulfanylethyl)amino]pyridine-4-carboxylate
CID 112663485
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383257
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate (CID 79386492) is ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(N(CC)CC(C)(C)O)c1N.
What is the InChIKey of ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The InChIKey is PXBFJUUTOREZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-17(9-14(3,4)19)12-11(15)10(7-8-16-12)13(18)20-6-2/h7-8,19H,5-6,9,15H2,1-4H3.
What are the key properties of ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 79386492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).