N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide

C17H20N6O3S — CID 66959284

IUPACN-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C17H20N6O3S/c1-10(2)21-16-15-13(20-9-23(4)17(15)24)7-12(22-16)11-5-6-14(19-8-11)27(25,26)18-3/h5-10,18H,1-4H3,(H,21,22)
InChIKeyQTWZTLIVWLEAHY-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.12
Rot. Bonds5

About N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide

N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide (PubChem CID 66959284) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide
PubChem CID66959284
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC NameN-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C17H20N6O3S/c1-10(2)21-16-15-13(20-9-23(4)17(15)24)7-12(22-16)11-5-6-14(19-8-11)27(25,26)18-3/h5-10,18H,1-4H3,(H,21,22)
InChIKeyQTWZTLIVWLEAHY-UHFFFAOYSA-N
XLogP1.12
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide?
The IUPAC name of N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide (CID 66959284) is N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide is CNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1.
What is the InChIKey of N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide?
The InChIKey is QTWZTLIVWLEAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-10(2)21-16-15-13(20-9-23(4)17(15)24)7-12(22-16)11-5-6-14(19-8-11)27(25,26)18-3/h5-10,18H,1-4H3,(H,21,22).
What are the key properties of N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide?
N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 66959284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).