3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine

C18H21N5O3S — CID 169003455

IUPAC3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine
SMILESCN(Cc1ccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)cc1)S(N)(=O)=O
InChIInChI=1S/C18H21N5O3S/c1-22(27(19,25)26)10-12-2-4-13(5-3-12)15-8-9-20-17-16(15)11-23(14-6-7-14)18(24)21-17/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,19,25,26)(H,20,21,24)
InChIKeyPSKNHXLOOVSRMG-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.89
Rot. Bonds5

About 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine

3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine (PubChem CID 169003455) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine
PubChem CID169003455
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine
SMILESCN(Cc1ccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)cc1)S(N)(=O)=O
InChIInChI=1S/C18H21N5O3S/c1-22(27(19,25)26)10-12-2-4-13(5-3-12)15-8-9-20-17-16(15)11-23(14-6-7-14)18(24)21-17/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,19,25,26)(H,20,21,24)
InChIKeyPSKNHXLOOVSRMG-UHFFFAOYSA-N
XLogP1.89
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine (CID 169003455) is 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine is CN(Cc1ccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)cc1)S(N)(=O)=O.
What is the InChIKey of 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is PSKNHXLOOVSRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-22(27(19,25)26)10-12-2-4-13(5-3-12)15-8-9-20-17-16(15)11-23(14-6-7-14)18(24)21-17/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,19,25,26)(H,20,21,24).
What are the key properties of 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine?
3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 387.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 169003455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).