N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

C16H18N2O2 — CID 84512305

IUPACN-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CCN(C)C(=O)c1cccnc1
InChIInChI=1S/C16H18N2O2/c1-18(16(19)14-7-5-10-17-12-14)11-9-13-6-3-4-8-15(13)20-2/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKHJBNPHBIDQCIG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 84512305) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID84512305
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CCN(C)C(=O)c1cccnc1
InChIInChI=1S/C16H18N2O2/c1-18(16(19)14-7-5-10-17-12-14)11-9-13-6-3-4-8-15(13)20-2/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKHJBNPHBIDQCIG-UHFFFAOYSA-N
XLogP2.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 119121687
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
CID 115172715
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188455
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide
CID 86788144
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055063

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (CID 84512305) is N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is COc1ccccc1CCN(C)C(=O)c1cccnc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is KHJBNPHBIDQCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(16(19)14-7-5-10-17-12-14)11-9-13-6-3-4-8-15(13)20-2/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 84512305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).