N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

C16H18N2O2 — CID 84510950

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccnc2)cc1
InChIInChI=1S/C16H18N2O2/c1-18(16(19)14-4-3-10-17-12-14)11-9-13-5-7-15(20-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyHJUPFJOZKRGQAQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 84510950) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID84510950
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccnc2)cc1
InChIInChI=1S/C16H18N2O2/c1-18(16(19)14-4-3-10-17-12-14)11-9-13-5-7-15(20-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyHJUPFJOZKRGQAQ-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-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84512305
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 28767903
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (CID 84510950) is N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is COc1ccc(CCN(C)C(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is HJUPFJOZKRGQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(16(19)14-4-3-10-17-12-14)11-9-13-5-7-15(20-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
N-[2-(4-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-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 84510950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).