5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide

C32H31FN4O6S — CID 16665457

IUPAC5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C32H31FN4O6S/c1-21-30(18-26(19-34-21)36-31(38)23-15-24(33)17-27(16-23)37-11-13-42-14-12-37)32(39)35-25-5-7-28(8-6-25)43-20-22-3-9-29(10-4-22)44(2,40)41/h3-10,15-19H,11-14,20H2,1-2H3,(H,35,39)(H,36,38)
InChIKeyZOOKQLVOORJFPK-UHFFFAOYSA-N
MW618.69 g/mol
LogP4.85
Rot. Bonds9

About 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide

5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide (PubChem CID 16665457) has the molecular formula C32H31FN4O6S and a molecular weight of 618.69 g/mol. Its IUPAC name is 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide
PubChem CID16665457
Molecular FormulaC32H31FN4O6S
Molecular Weight618.69 g/mol
Exact Mass618.19
IUPAC Name5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C32H31FN4O6S/c1-21-30(18-26(19-34-21)36-31(38)23-15-24(33)17-27(16-23)37-11-13-42-14-12-37)32(39)35-25-5-7-28(8-6-25)43-20-22-3-9-29(10-4-22)44(2,40)41/h3-10,15-19H,11-14,20H2,1-2H3,(H,35,39)(H,36,38)
InChIKeyZOOKQLVOORJFPK-UHFFFAOYSA-N
XLogP4.85
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.69
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide (CID 16665457) is 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide is Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is ZOOKQLVOORJFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O6S/c1-21-30(18-26(19-34-21)36-31(38)23-15-24(33)17-27(16-23)37-11-13-42-14-12-37)32(39)35-25-5-7-28(8-6-25)43-20-22-3-9-29(10-4-22)44(2,40)41/h3-10,15-19H,11-14,20H2,1-2H3,(H,35,39)(H,36,38).
What are the key properties of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide?
5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 618.69 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 16665457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).