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

C13H20N2O3 — CID 79390088

IUPACmethyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
SMILESCCN(CC(C)(C)O)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H20N2O3/c1-5-15(9-13(2,3)17)10-6-7-14-11(8-10)12(16)18-4/h6-8,17H,5,9H2,1-4H3
InChIKeyVBEQJERNQWLEPP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.47
Rot. Bonds5

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

methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate (PubChem CID 79390088) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
PubChem CID79390088
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
SMILESCCN(CC(C)(C)O)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H20N2O3/c1-5-15(9-13(2,3)17)10-6-7-14-11(8-10)12(16)18-4/h6-8,17H,5,9H2,1-4H3
InChIKeyVBEQJERNQWLEPP-UHFFFAOYSA-N
XLogP1.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 66287585
4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
CID 79386836
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496
methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
CID 156664169
2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid
CID 79269082
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate (CID 79390088) is methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate is CCN(CC(C)(C)O)c1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate?
The InChIKey is VBEQJERNQWLEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-15(9-13(2,3)17)10-6-7-14-11(8-10)12(16)18-4/h6-8,17H,5,9H2,1-4H3.
What are the key properties of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate?
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 79390088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).