N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide

C15H16N6O3S — CID 118321319

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H16N6O3S/c1-8-11-4-9(6-17-13(11)20-15(16)19-8)10-5-12(21-25(3,22)23)14(24-2)18-7-10/h4-7,21H,1-3H3,(H2,16,17,19,20)
InChIKeyQYCVDEJKGBPKKM-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.36
Rot. Bonds4

About N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 118321319) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID118321319
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H16N6O3S/c1-8-11-4-9(6-17-13(11)20-15(16)19-8)10-5-12(21-25(3,22)23)14(24-2)18-7-10/h4-7,21H,1-3H3,(H2,16,17,19,20)
InChIKeyQYCVDEJKGBPKKM-UHFFFAOYSA-N
XLogP1.36
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide (CID 118321319) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is QYCVDEJKGBPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-8-11-4-9(6-17-13(11)20-15(16)19-8)10-5-12(21-25(3,22)23)14(24-2)18-7-10/h4-7,21H,1-3H3,(H2,16,17,19,20).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 118321319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).