2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine

C15H14N6O3S — CID 155816329

IUPAC2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C15H14N6O3S/c1-9-19-13-12(3-2-8-18-13)14(22)21(9)10-4-6-11(7-5-10)25(23,24)20-15(16)17/h2-8H,1H3,(H4,16,17,20)
InChIKeySLXJDHPXMAOPIB-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.05
Rot. Bonds3

About 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine

2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine (PubChem CID 155816329) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine
PubChem CID155816329
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C15H14N6O3S/c1-9-19-13-12(3-2-8-18-13)14(22)21(9)10-4-6-11(7-5-10)25(23,24)20-15(16)17/h2-8H,1H3,(H4,16,17,20)
InChIKeySLXJDHPXMAOPIB-UHFFFAOYSA-N
XLogP0.05
TPSA146.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476
2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606668
N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 18569220
3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 86151328
3-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-nitrobenzamide
CID 8606712
3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606492
3,5-dimethyl-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606887
3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
CID 8606681
N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606946
3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607046
3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606941
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine (CID 155816329) is 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine is Cc1nc2ncccc2c(=O)n1-c1ccc(S(=O)(=O)N=C(N)N)cc1.
What is the InChIKey of 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine?
The InChIKey is SLXJDHPXMAOPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-9-19-13-12(3-2-8-18-13)14(22)21(9)10-4-6-11(7-5-10)25(23,24)20-15(16)17/h2-8H,1H3,(H4,16,17,20).
What are the key properties of 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine?
2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine has a molecular weight of 358.38 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine is sourced from PubChem (CID 155816329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).