3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide

C17H19FN2O2 — CID 75373199

IUPAC3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C17H19FN2O2/c1-17(2,13-6-4-5-7-15(13)22-3)11-20-16(21)12-8-9-19-10-14(12)18/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyFKZOICZUKXOCRS-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.94
Rot. Bonds5

About 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide

3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 75373199) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
PubChem CID75373199
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C17H19FN2O2/c1-17(2,13-6-4-5-7-15(13)22-3)11-20-16(21)12-8-9-19-10-14(12)18/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyFKZOICZUKXOCRS-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
CID 52834676
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 122145092

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide (CID 75373199) is 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide is COc1ccccc1C(C)(C)CNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is FKZOICZUKXOCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-17(2,13-6-4-5-7-15(13)22-3)11-20-16(21)12-8-9-19-10-14(12)18/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 75373199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).