5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide

C24H25FN2O3 — CID 42441382

IUPAC5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)cn1C
InChIInChI=1S/C24H25FN2O3/c1-17(8-9-18-6-4-3-5-7-18)26-24(29)21-14-22(28)23(15-27(21)2)30-16-19-10-12-20(25)13-11-19/h3-7,10-15,17H,8-9,16H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyJPKALSXLPKYVJK-KRWDZBQOSA-N
MW408.47 g/mol
LogP3.85
Rot. Bonds8

About 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide

5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide (PubChem CID 42441382) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide
PubChem CID42441382
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)cn1C
InChIInChI=1S/C24H25FN2O3/c1-17(8-9-18-6-4-3-5-7-18)26-24(29)21-14-22(28)23(15-27(21)2)30-16-19-10-12-20(25)13-11-19/h3-7,10-15,17H,8-9,16H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyJPKALSXLPKYVJK-KRWDZBQOSA-N
XLogP3.85
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10257257
CID 10257257
CID 10392960
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CID 10393052
CID 10393052
CID 10414990
CID 10414990
CID 10030271
CID 10030271
CID 10052689
CID 10052689
CID 10436990
CID 10436990
CID 162666832
CID 162666832
CID 162671445
CID 162671445
CID 6480785
CID 6480785
CID 16852774
CID 16852774
CID 16852776
CID 16852776

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide (CID 42441382) is 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)cn1C.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide?
The InChIKey is JPKALSXLPKYVJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-17(8-9-18-6-4-3-5-7-18)26-24(29)21-14-22(28)23(15-27(21)2)30-16-19-10-12-20(25)13-11-19/h3-7,10-15,17H,8-9,16H2,1-2H3,(H,26,29)/t17-/m0/s1.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide?
5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 42441382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).