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

C21H20N6O4S — CID 118321322

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cnc4nc(N)nc(C)c4c3)cnc2OC)cc1
InChIInChI=1S/C21H20N6O4S/c1-12-17-8-13(10-23-19(17)26-21(22)25-12)14-9-18(20(31-3)24-11-14)27-32(28,29)16-6-4-15(30-2)5-7-16/h4-11,27H,1-3H3,(H2,22,23,25,26)
InChIKeyBWJXMSDHBCHJHI-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.80
Rot. Bonds6

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

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 118321322) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID118321322
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cnc4nc(N)nc(C)c4c3)cnc2OC)cc1
InChIInChI=1S/C21H20N6O4S/c1-12-17-8-13(10-23-19(17)26-21(22)25-12)14-9-18(20(31-3)24-11-14)27-32(28,29)16-6-4-15(30-2)5-7-16/h4-11,27H,1-3H3,(H2,22,23,25,26)
InChIKeyBWJXMSDHBCHJHI-UHFFFAOYSA-N
XLogP2.80
TPSA142.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 118321322) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3cnc4nc(N)nc(C)c4c3)cnc2OC)cc1.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is BWJXMSDHBCHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-12-17-8-13(10-23-19(17)26-21(22)25-12)14-9-18(20(31-3)24-11-14)27-32(28,29)16-6-4-15(30-2)5-7-16/h4-11,27H,1-3H3,(H2,22,23,25,26).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 452.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 118321322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).