3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide

C16H17N3O3 — CID 170589414

IUPAC3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide
SMILESC=C(O)c1cc(-c2c(C)ccc(O)c2C)c(N)c(C(N)=O)n1
InChIInChI=1S/C16H17N3O3/c1-7-4-5-12(21)8(2)13(7)10-6-11(9(3)20)19-15(14(10)17)16(18)22/h4-6,20-21H,3,17H2,1-2H3,(H2,18,22)
InChIKeyFBMGUYJUUXKYEZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide

3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide (PubChem CID 170589414) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide
PubChem CID170589414
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide
SMILESC=C(O)c1cc(-c2c(C)ccc(O)c2C)c(N)c(C(N)=O)n1
InChIInChI=1S/C16H17N3O3/c1-7-4-5-12(21)8(2)13(7)10-6-11(9(3)20)19-15(14(10)17)16(18)22/h4-6,20-21H,3,17H2,1-2H3,(H2,18,22)
InChIKeyFBMGUYJUUXKYEZ-UHFFFAOYSA-N
XLogP2.28
TPSA122.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283417
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylimidazo[1,2-a]pyridine-8-carboxamide
CID 177042782
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820110
2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide
CID 177283680
5-amino-6-(3-hydroxy-2,6-dimethylphenyl)-1-benzothiophene-4-carboxamide
CID 177042849
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide
CID 177042909
3-methylpyridine-2,6-dicarboxamide;dihydrochloride
CID 175165301
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820058
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042704
3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820241

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide (CID 170589414) is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide is C=C(O)c1cc(-c2c(C)ccc(O)c2C)c(N)c(C(N)=O)n1.
What is the InChIKey of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide?
The InChIKey is FBMGUYJUUXKYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-7-4-5-12(21)8(2)13(7)10-6-11(9(3)20)19-15(14(10)17)16(18)22/h4-6,20-21H,3,17H2,1-2H3,(H2,18,22).
What are the key properties of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide?
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide is sourced from PubChem (CID 170589414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).