6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide

C16H18N2O2 — CID 38450854

IUPAC6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cccc(C)n2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-14(9-7-12)20-11-10-17-16(19)15-5-3-4-13(2)18-15/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyDUUQTNLYHBNBMW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.51
Rot. Bonds5

About 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide

6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide (PubChem CID 38450854) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
PubChem CID38450854
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cccc(C)n2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-14(9-7-12)20-11-10-17-16(19)15-5-3-4-13(2)18-15/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyDUUQTNLYHBNBMW-UHFFFAOYSA-N
XLogP2.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide
CID 114309316
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109311143
6-N-butan-2-yl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,6-dicarboxamide
CID 109094634
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
N-[2-(4-methoxyphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573585
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide (CID 38450854) is 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide is Cc1ccc(OCCNC(=O)c2cccc(C)n2)cc1.
What is the InChIKey of 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is DUUQTNLYHBNBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-8-14(9-7-12)20-11-10-17-16(19)15-5-3-4-13(2)18-15/h3-9H,10-11H2,1-2H3,(H,17,19).
What are the key properties of 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide?
6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 38450854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).