N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide

C24H26N4O5S — CID 90409107

IUPACN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C24H26N4O5S/c1-16-4-5-19(26-23(29)17-6-7-25-22(13-17)34(3,31)32)14-20(16)18-12-21(24(30)27(2)15-18)28-8-10-33-11-9-28/h4-7,12-15H,8-11H2,1-3H3,(H,26,29)
InChIKeyFSMKYSURAWMOEK-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.25
Rot. Bonds5

About N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide

N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 90409107) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
PubChem CID90409107
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC NameN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C24H26N4O5S/c1-16-4-5-19(26-23(29)17-6-7-25-22(13-17)34(3,31)32)14-20(16)18-12-21(24(30)27(2)15-18)28-8-10-33-11-9-28/h4-7,12-15H,8-11H2,1-3H3,(H,26,29)
InChIKeyFSMKYSURAWMOEK-UHFFFAOYSA-N
XLogP2.25
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide (CID 90409107) is N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is FSMKYSURAWMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-16-4-5-19(26-23(29)17-6-7-25-22(13-17)34(3,31)32)14-20(16)18-12-21(24(30)27(2)15-18)28-8-10-33-11-9-28/h4-7,12-15H,8-11H2,1-3H3,(H,26,29).
What are the key properties of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide?
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 90409107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).