N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C19H26N4O4S — CID 24688007

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC
InChIInChI=1S/C19H26N4O4S/c1-22-8-10-23(11-9-22)28(24,25)16-5-7-19(21-14-16)20-13-15-4-6-17(26-2)18(12-15)27-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21)
InChIKeyVSEKYRKRQKNPFF-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.65
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 24688007) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID24688007
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC
InChIInChI=1S/C19H26N4O4S/c1-22-8-10-23(11-9-22)28(24,25)16-5-7-19(21-14-16)20-13-15-4-6-17(26-2)18(12-15)27-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21)
InChIKeyVSEKYRKRQKNPFF-UHFFFAOYSA-N
XLogP1.65
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 24688007) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is COc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is VSEKYRKRQKNPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-22-8-10-23(11-9-22)28(24,25)16-5-7-19(21-14-16)20-13-15-4-6-17(26-2)18(12-15)27-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 406.51 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 24688007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).