N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide

C23H24N4O4S — CID 86296894

IUPACN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H24N4O4S/c1-16-3-4-19(26-23(28)18-6-8-25-22(14-18)32(2,29)30)15-20(16)17-5-7-24-21(13-17)27-9-11-31-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,26,28)
InChIKeyOJBDIEWQHBNHTP-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.94
Rot. Bonds5

About N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide

N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 86296894) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
PubChem CID86296894
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H24N4O4S/c1-16-3-4-19(26-23(28)18-6-8-25-22(14-18)32(2,29)30)15-20(16)17-5-7-24-21(13-17)27-9-11-31-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,26,28)
InChIKeyOJBDIEWQHBNHTP-UHFFFAOYSA-N
XLogP2.94
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-1-(3-(6-(methylsulfonyl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10183035
N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 11373909
N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-methylsulfonylbenzamide
CID 86295454
2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 86296890
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide
CID 86296892
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
CID 90409107
N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 90442628
2-(difluoromethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide
CID 117609652
US10245267, Example 1137
CID 117610078
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 118887119
(E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71466490
N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
CID 86297689

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide (CID 86296894) is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is OJBDIEWQHBNHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-16-3-4-19(26-23(28)18-6-8-25-22(14-18)32(2,29)30)15-20(16)17-5-7-24-21(13-17)27-9-11-31-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,26,28).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 86296894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).