5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine

C22H31N5O3S — CID 55431920

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(CN3CCOCC3)c3ccccc3)nc2)CC1
InChIInChI=1S/C22H31N5O3S/c1-25-9-11-27(12-10-25)31(28,29)20-7-8-22(23-17-20)24-21(19-5-3-2-4-6-19)18-26-13-15-30-16-14-26/h2-8,17,21H,9-16,18H2,1H3,(H,23,24)
InChIKeyIGWBUXMRRNWZTL-UHFFFAOYSA-N
MW445.59 g/mol
LogP1.50
Rot. Bonds7

About 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine

5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine (PubChem CID 55431920) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
PubChem CID55431920
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(CN3CCOCC3)c3ccccc3)nc2)CC1
InChIInChI=1S/C22H31N5O3S/c1-25-9-11-27(12-10-25)31(28,29)20-7-8-22(23-17-20)24-21(19-5-3-2-4-6-19)18-26-13-15-30-16-14-26/h2-8,17,21H,9-16,18H2,1H3,(H,23,24)
InChIKeyIGWBUXMRRNWZTL-UHFFFAOYSA-N
XLogP1.50
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
N-methyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-sulfonamide
CID 133316598
N-[1-(4-chlorophenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55501188
3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
CID 133490784
N-(2-morpholin-4-yl-1-phenylethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488759
N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55521187
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
CID 138994630
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine (CID 55431920) is 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(NC(CN3CCOCC3)c3ccccc3)nc2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine?
The InChIKey is IGWBUXMRRNWZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-25-9-11-27(12-10-25)31(28,29)20-7-8-22(23-17-20)24-21(19-5-3-2-4-6-19)18-26-13-15-30-16-14-26/h2-8,17,21H,9-16,18H2,1H3,(H,23,24).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine?
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine has a molecular weight of 445.59 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 55431920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).