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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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).