N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

C15H17N3O2 — CID 62829726

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cc(N)ccc2O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-9-3-5-13(10(2)18-9)15(20)17-8-11-7-12(16)4-6-14(11)19/h3-7,19H,8,16H2,1-2H3,(H,17,20)
InChIKeyDANICOWZEPRDLD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.92
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62829726) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID62829726
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cc(N)ccc2O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-9-3-5-13(10(2)18-9)15(20)17-8-11-7-12(16)4-6-14(11)19/h3-7,19H,8,16H2,1-2H3,(H,17,20)
InChIKeyDANICOWZEPRDLD-UHFFFAOYSA-N
XLogP1.92
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (CID 62829726) is N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2cc(N)ccc2O)c(C)n1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is DANICOWZEPRDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-3-5-13(10(2)18-9)15(20)17-8-11-7-12(16)4-6-14(11)19/h3-7,19H,8,16H2,1-2H3,(H,17,20).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62829726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).