N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide

C14H17N3O3S — CID 146600163

IUPACN-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide
SMILESCOc1ccc(-c2cc(N)c(=O)n(C)c2)cc1NS(C)=O
InChIInChI=1S/C14H17N3O3S/c1-17-8-10(6-11(15)14(17)18)9-4-5-13(20-2)12(7-9)16-21(3)19/h4-8,16H,15H2,1-3H3
InChIKeyOOFJZFDAKGBPJM-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.35
Rot. Bonds4

About N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide

N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide (PubChem CID 146600163) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide.

Molecular Properties

Compound NameN-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide
PubChem CID146600163
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide
SMILESCOc1ccc(-c2cc(N)c(=O)n(C)c2)cc1NS(C)=O
InChIInChI=1S/C14H17N3O3S/c1-17-8-10(6-11(15)14(17)18)9-4-5-13(20-2)12(7-9)16-21(3)19/h4-8,16H,15H2,1-3H3
InChIKeyOOFJZFDAKGBPJM-UHFFFAOYSA-N
XLogP1.35
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide?
The IUPAC name of N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide (CID 146600163) is N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide.
What is the SMILES notation for N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide?
The canonical SMILES for N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide is COc1ccc(-c2cc(N)c(=O)n(C)c2)cc1NS(C)=O.
What is the InChIKey of N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide?
The InChIKey is OOFJZFDAKGBPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17-8-10(6-11(15)14(17)18)9-4-5-13(20-2)12(7-9)16-21(3)19/h4-8,16H,15H2,1-3H3.
What are the key properties of N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide?
N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide has a molecular weight of 307.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-amino-1-methyl-6-oxo-3-pyridinyl)-2-methoxyphenyl]methanesulfinamide is sourced from PubChem (CID 146600163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).