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

C16H17FN2O2 — CID 107358744

IUPAC2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2cccnc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-12-5-3-6-13(11-12)21-10-9-19(2)16(20)14-7-4-8-18-15(14)17/h3-8,11H,9-10H2,1-2H3
InChIKeyGJJOWCCSTDKDBH-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.68
Rot. Bonds5

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

2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 107358744) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID107358744
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2cccnc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-12-5-3-6-13(11-12)21-10-9-19(2)16(20)14-7-4-8-18-15(14)17/h3-8,11H,9-10H2,1-2H3
InChIKeyGJJOWCCSTDKDBH-UHFFFAOYSA-N
XLogP2.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 31667067
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
CID 55440414
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119617
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (CID 107358744) is 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is Cc1cccc(OCCN(C)C(=O)c2cccnc2F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is GJJOWCCSTDKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12-5-3-6-13(11-12)21-10-9-19(2)16(20)14-7-4-8-18-15(14)17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).