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

C15H19ClN4O3S — CID 118021740

IUPACN-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(Cl)c(=O)n(C)c1
InChIInChI=1S/C15H19ClN4O3S/c1-4-6-10-8-17-15(19-24(22,23)5-2)18-13(10)11-7-12(16)14(21)20(3)9-11/h7-9H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyBZMMWGCCTAMXOK-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.21
Rot. Bonds6

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

N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 118021740) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
PubChem CID118021740
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC NameN-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(Cl)c(=O)n(C)c1
InChIInChI=1S/C15H19ClN4O3S/c1-4-6-10-8-17-15(19-24(22,23)5-2)18-13(10)11-7-12(16)14(21)20(3)9-11/h7-9H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyBZMMWGCCTAMXOK-UHFFFAOYSA-N
XLogP2.21
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (CID 118021740) is N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide is CCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(Cl)c(=O)n(C)c1.
What is the InChIKey of N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is BZMMWGCCTAMXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-4-6-10-8-17-15(19-24(22,23)5-2)18-13(10)11-7-12(16)14(21)20(3)9-11/h7-9H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 370.86 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118021740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).