6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide

C18H21FN2O3 — CID 58368200

IUPAC6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)O
InChIInChI=1S/C18H21FN2O3/c1-12(18(2,3)23)21-17(22)14-7-8-16(20-10-14)24-11-13-5-4-6-15(19)9-13/h4-10,12,23H,11H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyHLNAWEBMGMYBMZ-LBPRGKRZSA-N
MW332.38 g/mol
LogP2.69
Rot. Bonds6

About 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide

6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 58368200) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
PubChem CID58368200
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)O
InChIInChI=1S/C18H21FN2O3/c1-12(18(2,3)23)21-17(22)14-7-8-16(20-10-14)24-11-13-5-4-6-15(19)9-13/h4-10,12,23H,11H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyHLNAWEBMGMYBMZ-LBPRGKRZSA-N
XLogP2.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 87552135
N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 76736087
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
N-(2-amino-2-oxoethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 10286337
N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368082
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
CID 58368162
N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368249
6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
CID 58533769
6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
N-cyclobutyl-6-[(3-methylphenyl)methoxy]pyridine-3-carboxamide
CID 58368099

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide (CID 58368200) is 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)O.
What is the InChIKey of 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is HLNAWEBMGMYBMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12(18(2,3)23)21-17(22)14-7-8-16(20-10-14)24-11-13-5-4-6-15(19)9-13/h4-10,12,23H,11H2,1-3H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58368200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).