N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

C20H25FN2O2 — CID 58368094

IUPACN-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)NCCC(C)(C)C
InChIInChI=1S/C20H25FN2O2/c1-14-17(19(24)22-11-10-20(2,3)4)8-9-18(23-14)25-13-15-6-5-7-16(21)12-15/h5-9,12H,10-11,13H2,1-4H3,(H,22,24)
InChIKeyGBFQBVLQHIKVKL-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.27
Rot. Bonds6

About N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (PubChem CID 58368094) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
PubChem CID58368094
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)NCCC(C)(C)C
InChIInChI=1S/C20H25FN2O2/c1-14-17(19(24)22-11-10-20(2,3)4)8-9-18(23-14)25-13-15-6-5-7-16(21)12-15/h5-9,12H,10-11,13H2,1-4H3,(H,22,24)
InChIKeyGBFQBVLQHIKVKL-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (CID 58368094) is N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide is Cc1nc(OCc2cccc(F)c2)ccc1C(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The InChIKey is GBFQBVLQHIKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14-17(19(24)22-11-10-20(2,3)4)8-9-18(23-14)25-13-15-6-5-7-16(21)12-15/h5-9,12H,10-11,13H2,1-4H3,(H,22,24).
What are the key properties of N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58368094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).