5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide

C16H19N3O2 — CID 61113866

IUPAC5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C16H19N3O2/c1-10-14(8-12(17)9-18-10)16(21)19(3)11(2)13-6-4-5-7-15(13)20/h4-9,11,20H,17H2,1-3H3
InChIKeyGEIRMYSYHWVKKZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.51
Rot. Bonds3

About 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide

5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 61113866) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID61113866
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C16H19N3O2/c1-10-14(8-12(17)9-18-10)16(21)19(3)11(2)13-6-4-5-7-15(13)20/h4-9,11,20H,17H2,1-3H3
InChIKeyGEIRMYSYHWVKKZ-UHFFFAOYSA-N
XLogP2.51
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide
CID 61105565
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61116700
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61112841
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
5-amino-N,2-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 61040317
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide (CID 61113866) is 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)N(C)C(C)c1ccccc1O.
What is the InChIKey of 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is GEIRMYSYHWVKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-14(8-12(17)9-18-10)16(21)19(3)11(2)13-6-4-5-7-15(13)20/h4-9,11,20H,17H2,1-3H3.
What are the key properties of 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide?
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 61113866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).