N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C19H26N4O3S — CID 8894649

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C19H26N4O3S/c1-21-10-12-23(13-11-21)27(24,25)17-8-9-19(20-14-17)22(2)15-16-6-4-5-7-18(16)26-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyAIWGFQXRJCSOIX-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.66
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 8894649) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID8894649
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C19H26N4O3S/c1-21-10-12-23(13-11-21)27(24,25)17-8-9-19(20-14-17)22(2)15-16-6-4-5-7-18(16)26-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyAIWGFQXRJCSOIX-UHFFFAOYSA-N
XLogP1.66
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 8894649) is N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is COc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is AIWGFQXRJCSOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-21-10-12-23(13-11-21)27(24,25)17-8-9-19(20-14-17)22(2)15-16-6-4-5-7-18(16)26-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 390.51 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 8894649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).