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

C20H18N6O3S — CID 118321320

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18N6O3S/c1-12-16-8-13(10-22-18(16)25-20(21)24-12)14-9-17(19(29-2)23-11-14)26-30(27,28)15-6-4-3-5-7-15/h3-11,26H,1-2H3,(H2,21,22,24,25)
InChIKeyLORJNYGLNORQEM-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.79
Rot. Bonds5

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

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 118321320) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID118321320
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18N6O3S/c1-12-16-8-13(10-22-18(16)25-20(21)24-12)14-9-17(19(29-2)23-11-14)26-30(27,28)15-6-4-3-5-7-15/h3-11,26H,1-2H3,(H2,21,22,24,25)
InChIKeyLORJNYGLNORQEM-UHFFFAOYSA-N
XLogP2.79
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]benzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 118321320) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is LORJNYGLNORQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-12-16-8-13(10-22-18(16)25-20(21)24-12)14-9-17(19(29-2)23-11-14)26-30(27,28)15-6-4-3-5-7-15/h3-11,26H,1-2H3,(H2,21,22,24,25).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 422.47 g/mol, XLogP of 2.79, 5 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]benzenesulfonamide is sourced from PubChem (CID 118321320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).