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

C11H16N2O3 — CID 65034793

IUPACmethyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC(C)CO
InChIInChI=1S/C11H16N2O3/c1-8(7-14)6-13-10-9(11(15)16-2)4-3-5-12-10/h3-5,8,14H,6-7H2,1-2H3,(H,12,13)
InChIKeyFCFNQBVYUJGLLE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.91
Rot. Bonds5

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

methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate (PubChem CID 65034793) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
PubChem CID65034793
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC(C)CO
InChIInChI=1S/C11H16N2O3/c1-8(7-14)6-13-10-9(11(15)16-2)4-3-5-12-10/h3-5,8,14H,6-7H2,1-2H3,(H,12,13)
InChIKeyFCFNQBVYUJGLLE-UHFFFAOYSA-N
XLogP0.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
CID 106108531
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(3-hydroxy-2-methylpropyl)sulfanylpyridine-3-carboxylate
CID 66105968
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate (CID 65034793) is methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCC(C)CO.
What is the InChIKey of methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The InChIKey is FCFNQBVYUJGLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(7-14)6-13-10-9(11(15)16-2)4-3-5-12-10/h3-5,8,14H,6-7H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 65034793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).