4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C17H16N4O3S — CID 177042736

IUPAC4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn(-c2nccs2)c(=O)c(C(N)=O)c1N
InChIInChI=1S/C17H16N4O3S/c1-8-3-4-11(22)9(2)12(8)10-7-21(17-20-5-6-25-17)16(24)13(14(10)18)15(19)23/h3-7,22H,18H2,1-2H3,(H2,19,23)
InChIKeyNUUVBXRQKYBONA-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.96
Rot. Bonds3

About 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide

4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 177042736) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID177042736
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn(-c2nccs2)c(=O)c(C(N)=O)c1N
InChIInChI=1S/C17H16N4O3S/c1-8-3-4-11(22)9(2)12(8)10-7-21(17-20-5-6-25-17)16(24)13(14(10)18)15(19)23/h3-7,22H,18H2,1-2H3,(H2,19,23)
InChIKeyNUUVBXRQKYBONA-UHFFFAOYSA-N
XLogP1.96
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 177042719
5-amino-6-(3-hydroxy-2,6-dimethylphenyl)-1-benzothiophene-4-carboxamide
CID 177042849
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 177042732
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylimidazo[1,2-a]pyridine-8-carboxamide
CID 177042782
7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042704
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide
CID 177042946
7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042893
3-amino-6-(2-amino-4-pyridinyl)-4-(3-hydroxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 177283434
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide
CID 170589414
2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide
CID 177283680
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide
CID 177042909
methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 177042882

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 177042736) is 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1ccc(O)c(C)c1-c1cn(-c2nccs2)c(=O)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is NUUVBXRQKYBONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-8-3-4-11(22)9(2)12(8)10-7-21(17-20-5-6-25-17)16(24)13(14(10)18)15(19)23/h3-7,22H,18H2,1-2H3,(H2,19,23).
What are the key properties of 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 177042736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).