4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide

C21H18N4O5S — CID 118616331

IUPAC4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nccc(=O)n4c3)cnc2OC)cc1
InChIInChI=1S/C21H18N4O5S/c1-29-16-4-6-17(7-5-16)31(27,28)24-18-11-15(12-23-21(18)30-2)14-3-8-19-22-10-9-20(26)25(19)13-14/h3-13,24H,1-2H3
InChIKeyHWMJJIJRAKNKJM-UHFFFAOYSA-N
MW438.47 g/mol
LogP2.57
Rot. Bonds6

About 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide

4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 118616331) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID118616331
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC Name4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nccc(=O)n4c3)cnc2OC)cc1
InChIInChI=1S/C21H18N4O5S/c1-29-16-4-6-17(7-5-16)31(27,28)24-18-11-15(12-23-21(18)30-2)14-3-8-19-22-10-9-20(26)25(19)13-14/h3-13,24H,1-2H3
InChIKeyHWMJJIJRAKNKJM-UHFFFAOYSA-N
XLogP2.57
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 118616331) is 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nccc(=O)n4c3)cnc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is HWMJJIJRAKNKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-29-16-4-6-17(7-5-16)31(27,28)24-18-11-15(12-23-21(18)30-2)14-3-8-19-22-10-9-20(26)25(19)13-14/h3-13,24H,1-2H3.
What are the key properties of 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 438.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118616331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).