6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

C16H18N2O2 — CID 18148810

IUPAC6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(C)nc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-4-3-5-15(10-12)20-9-8-17-16(19)14-7-6-13(2)18-11-14/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyVINDSCDFIXILTL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.51
Rot. Bonds5

About 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 18148810) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID18148810
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(C)nc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-4-3-5-15(10-12)20-9-8-17-16(19)14-7-6-13(2)18-11-14/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyVINDSCDFIXILTL-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

6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (CID 18148810) is 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is Cc1cccc(OCCNC(=O)c2ccc(C)nc2)c1.
What is the InChIKey of 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is VINDSCDFIXILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-4-3-5-15(10-12)20-9-8-17-16(19)14-7-6-13(2)18-11-14/h3-7,10-11H,8-9H2,1-2H3,(H,17,19).
What are the key properties of 6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-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-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 18148810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).