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

C16H18N2O2 — CID 62341012

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C16H18N2O2/c1-11-7-6-10-17-15(11)16(20)18(3)12(2)13-8-4-5-9-14(13)19/h4-10,12,19H,1-3H3
InChIKeyAERDFYBIQFZPNE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.93
Rot. Bonds3

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

N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 62341012) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
PubChem CID62341012
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C16H18N2O2/c1-11-7-6-10-17-15(11)16(20)18(3)12(2)13-8-4-5-9-14(13)19/h4-10,12,19H,1-3H3
InChIKeyAERDFYBIQFZPNE-UHFFFAOYSA-N
XLogP2.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
N-(1-aminopropan-2-yl)-N,3-dimethylpyridine-2-carboxamide
CID 82507395
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 107518506
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 103799825
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55009248
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide (CID 62341012) is N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide is Cc1cccnc1C(=O)N(C)C(C)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is AERDFYBIQFZPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-6-10-17-15(11)16(20)18(3)12(2)13-8-4-5-9-14(13)19/h4-10,12,19H,1-3H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide?
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 62341012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).