3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide

C11H17N3O2 — CID 105071219

IUPAC3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1N)C(C)(C)CO
InChIInChI=1S/C11H17N3O2/c1-11(2,7-15)14(3)10(16)8-4-5-13-6-9(8)12/h4-6,15H,7,12H2,1-3H3
InChIKeyTWOQJSSDNCZEBD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide (PubChem CID 105071219) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
PubChem CID105071219
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1N)C(C)(C)CO
InChIInChI=1S/C11H17N3O2/c1-11(2,7-15)14(3)10(16)8-4-5-13-6-9(8)12/h4-6,15H,7,12H2,1-3H3
InChIKeyTWOQJSSDNCZEBD-UHFFFAOYSA-N
XLogP0.51
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
3-amino-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105069166
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
CID 113475336
3-amino-N-cyclopropyl-N-ethylpyridine-4-carboxamide
CID 105068531
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide
CID 113476040
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 105070428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide (CID 105071219) is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1N)C(C)(C)CO.
What is the InChIKey of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is TWOQJSSDNCZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,7-15)14(3)10(16)8-4-5-13-6-9(8)12/h4-6,15H,7,12H2,1-3H3.
What are the key properties of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide?
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105071219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).