N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C18H19N5O3S — CID 66959511

IUPACN-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCn1cnc2cc(-c3ccc(NS(C)(=O)=O)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C18H19N5O3S/c1-23-10-19-15-9-14(11-3-5-13(6-4-11)22-27(2,25)26)21-17(16(15)18(23)24)20-12-7-8-12/h3-6,9-10,12,22H,7-8H2,1-2H3,(H,20,21)
InChIKeyGLTRKZRXQZYMFD-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.94
Rot. Bonds5

About N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 66959511) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
PubChem CID66959511
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCn1cnc2cc(-c3ccc(NS(C)(=O)=O)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C18H19N5O3S/c1-23-10-19-15-9-14(11-3-5-13(6-4-11)22-27(2,25)26)21-17(16(15)18(23)24)20-12-7-8-12/h3-6,9-10,12,22H,7-8H2,1-2H3,(H,20,21)
InChIKeyGLTRKZRXQZYMFD-UHFFFAOYSA-N
XLogP1.94
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 66959511) is N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide is Cn1cnc2cc(-c3ccc(NS(C)(=O)=O)cc3)nc(NC3CC3)c2c1=O.
What is the InChIKey of N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The InChIKey is GLTRKZRXQZYMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-23-10-19-15-9-14(11-3-5-13(6-4-11)22-27(2,25)26)21-17(16(15)18(23)24)20-12-7-8-12/h3-6,9-10,12,22H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 66959511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).