N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide

C16H22N4O4S — CID 118022274

IUPACN-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C16H22N4O4S/c1-5-7-11-9-17-16(19-25(22,23)6-2)18-14(11)12-8-13(24-4)15(21)20(3)10-12/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyHYEKLYMBFWZUDG-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.57
Rot. Bonds7

About N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide

N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 118022274) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
PubChem CID118022274
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C16H22N4O4S/c1-5-7-11-9-17-16(19-25(22,23)6-2)18-14(11)12-8-13(24-4)15(21)20(3)10-12/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyHYEKLYMBFWZUDG-UHFFFAOYSA-N
XLogP1.57
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (CID 118022274) is N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide is CCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(OC)c(=O)n(C)c1.
What is the InChIKey of N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is HYEKLYMBFWZUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-5-7-11-9-17-16(19-25(22,23)6-2)18-14(11)12-8-13(24-4)15(21)20(3)10-12/h8-10H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118022274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).