3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide

C16H17FN2O2 — CID 115645589

IUPAC3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccncc1F
InChIInChI=1S/C16H17FN2O2/c1-10-4-5-15(21-3)13(8-10)11(2)19-16(20)12-6-7-18-9-14(12)17/h4-9,11H,1-3H3,(H,19,20)
InChIKeyLBDXSVCYFHBDLB-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds4

About 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide

3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 115645589) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID115645589
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccncc1F
InChIInChI=1S/C16H17FN2O2/c1-10-4-5-15(21-3)13(8-10)11(2)19-16(20)12-6-7-18-9-14(12)17/h4-9,11H,1-3H3,(H,19,20)
InChIKeyLBDXSVCYFHBDLB-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 95316928
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55607195
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide (CID 115645589) is 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(C)cc1C(C)NC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is LBDXSVCYFHBDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-4-5-15(21-3)13(8-10)11(2)19-16(20)12-6-7-18-9-14(12)17/h4-9,11H,1-3H3,(H,19,20).
What are the key properties of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide?
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 115645589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).