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

C19H17N7O3S — CID 118321324

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C19H17N7O3S/c1-11-15-6-12(8-22-17(15)25-19(20)24-11)13-7-16(18(29-2)23-9-13)26-30(27,28)14-4-3-5-21-10-14/h3-10,26H,1-2H3,(H2,20,22,24,25)
InChIKeyQLRYXCGFDGTCHD-UHFFFAOYSA-N
MW423.46 g/mol
LogP2.18
Rot. Bonds5

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

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 118321324) has the molecular formula C19H17N7O3S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID118321324
Molecular FormulaC19H17N7O3S
Molecular Weight423.46 g/mol
Exact Mass423.11
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C19H17N7O3S/c1-11-15-6-12(8-22-17(15)25-19(20)24-11)13-7-16(18(29-2)23-9-13)26-30(27,28)14-4-3-5-21-10-14/h3-10,26H,1-2H3,(H2,20,22,24,25)
InChIKeyQLRYXCGFDGTCHD-UHFFFAOYSA-N
XLogP2.18
TPSA145.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 52.18
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]pyridine-3-sulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (CID 118321324) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is QLRYXCGFDGTCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3S/c1-11-15-6-12(8-22-17(15)25-19(20)24-11)13-7-16(18(29-2)23-9-13)26-30(27,28)14-4-3-5-21-10-14/h3-10,26H,1-2H3,(H2,20,22,24,25).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 423.46 g/mol, XLogP of 2.18, 5 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]pyridine-3-sulfonamide is sourced from PubChem (CID 118321324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).