4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide

C13H21N3O2 — CID 114155484

IUPAC4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)(C)C(C)(C)O)ccn1
InChIInChI=1S/C13H21N3O2/c1-12(2,13(3,4)18)16-9-6-7-15-10(8-9)11(17)14-5/h6-8,18H,1-5H3,(H,14,17)(H,15,16)
InChIKeyUGFBRNMUARUBOI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.40
Rot. Bonds4

About 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide

4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 114155484) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID114155484
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)(C)C(C)(C)O)ccn1
InChIInChI=1S/C13H21N3O2/c1-12(2,13(3,4)18)16-9-6-7-15-10(8-9)11(17)14-5/h6-8,18H,1-5H3,(H,14,17)(H,15,16)
InChIKeyUGFBRNMUARUBOI-UHFFFAOYSA-N
XLogP1.40
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 105058494
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
CID 25128735
4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
CID 66006288
4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
CID 106129174
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide (CID 114155484) is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NC(C)(C)C(C)(C)O)ccn1.
What is the InChIKey of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is UGFBRNMUARUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-12(2,13(3,4)18)16-9-6-7-15-10(8-9)11(17)14-5/h6-8,18H,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide?
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 114155484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).