N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide

C12H19N3O2 — CID 113283967

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cncc(O)c1
InChIInChI=1S/C12H19N3O2/c1-8(2)12(3,7-13)15-11(17)9-4-10(16)6-14-5-9/h4-6,8,16H,7,13H2,1-3H3,(H,15,17)
InChIKeyOYJVGUAZUNZOFH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide (PubChem CID 113283967) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
PubChem CID113283967
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cncc(O)c1
InChIInChI=1S/C12H19N3O2/c1-8(2)12(3,7-13)15-11(17)9-4-10(16)6-14-5-9/h4-6,8,16H,7,13H2,1-3H3,(H,15,17)
InChIKeyOYJVGUAZUNZOFH-UHFFFAOYSA-N
XLogP0.89
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide (CID 113283967) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide is CC(C)C(C)(CN)NC(=O)c1cncc(O)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is OYJVGUAZUNZOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)12(3,7-13)15-11(17)9-4-10(16)6-14-5-9/h4-6,8,16H,7,13H2,1-3H3,(H,15,17).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 113283967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).