N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide

C23H24N4O4S — CID 86297888

IUPACN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide
SMILESCc1ncc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H24N4O4S/c1-16-21(17-6-7-24-22(13-17)27-8-10-31-11-9-27)14-19(15-25-16)26-23(28)18-4-3-5-20(12-18)32(2,29)30/h3-7,12-15H,8-11H2,1-2H3,(H,26,28)
InChIKeyBOFJGENBYWHBQW-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.94
Rot. Bonds5

About N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide

N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide (PubChem CID 86297888) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide
PubChem CID86297888
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide
SMILESCc1ncc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H24N4O4S/c1-16-21(17-6-7-24-22(13-17)27-8-10-31-11-9-27)14-19(15-25-16)26-23(28)18-4-3-5-20(12-18)32(2,29)30/h3-7,12-15H,8-11H2,1-2H3,(H,26,28)
InChIKeyBOFJGENBYWHBQW-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-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide (CID 86297888) is N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide is Cc1ncc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide?
The InChIKey is BOFJGENBYWHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-16-21(17-6-7-24-22(13-17)27-8-10-31-11-9-27)14-19(15-25-16)26-23(28)18-4-3-5-20(12-18)32(2,29)30/h3-7,12-15H,8-11H2,1-2H3,(H,26,28).
What are the key properties of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide?
N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide 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-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 86297888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).