N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

C24H22ClF2N3O5S — CID 166662280

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CCOCC2)c1
InChIInChI=1S/C24H22ClF2N3O5S/c1-36(32,33)20-4-2-3-16(13-20)21-14-17(15-28-22(21)30-9-11-34-12-10-30)23(31)29-18-5-7-19(8-6-18)35-24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyWPQYRRGBSCSBTA-UHFFFAOYSA-N
MW537.97 g/mol
LogP4.41
Rot. Bonds7

About N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 166662280) has the molecular formula C24H22ClF2N3O5S and a molecular weight of 537.97 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID166662280
Molecular FormulaC24H22ClF2N3O5S
Molecular Weight537.97 g/mol
Exact Mass537.09
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CCOCC2)c1
InChIInChI=1S/C24H22ClF2N3O5S/c1-36(32,33)20-4-2-3-16(13-20)21-14-17(15-28-22(21)30-9-11-34-12-10-30)23(31)29-18-5-7-19(8-6-18)35-24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyWPQYRRGBSCSBTA-UHFFFAOYSA-N
XLogP4.41
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.97
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919306
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 123610230
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 118198901
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 177135457
N-[4-[chloro(difluoro)methoxy]phenyl]-6-pyrrolidin-1-yl-5-(1,2,4-triazin-6-yl)pyridine-3-carboxamide
CID 149027834
5-(2,6-difluoro-4-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123948489
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118195232
6-[(3R)-3-aminopiperidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118198920
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919228
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(6-cyclopropyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 166662266
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridazin-4-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
CID 157149920
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 118044927

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 166662280) is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is CS(=O)(=O)c1cccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CCOCC2)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is WPQYRRGBSCSBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3O5S/c1-36(32,33)20-4-2-3-16(13-20)21-14-17(15-28-22(21)30-9-11-34-12-10-30)23(31)29-18-5-7-19(8-6-18)35-24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,29,31).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 537.97 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 166662280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).