N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C20H35N5O3S — CID 55521187

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC(C)CC(CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N1CCOCC1
InChIInChI=1S/C20H35N5O3S/c1-17(2)14-18(24-10-12-28-13-11-24)15-21-20-5-4-19(16-22-20)29(26,27)25-8-6-23(3)7-9-25/h4-5,16-18H,6-15H2,1-3H3,(H,21,22)
InChIKeyYACDCULCGZDMSB-UHFFFAOYSA-N
MW425.60 g/mol
LogP1.18
Rot. Bonds8

About N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 55521187) has the molecular formula C20H35N5O3S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID55521187
Molecular FormulaC20H35N5O3S
Molecular Weight425.60 g/mol
Exact Mass425.25
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC(C)CC(CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N1CCOCC1
InChIInChI=1S/C20H35N5O3S/c1-17(2)14-18(24-10-12-28-13-11-24)15-21-20-5-4-19(16-22-20)29(26,27)25-8-6-23(3)7-9-25/h4-5,16-18H,6-15H2,1-3H3,(H,21,22)
InChIKeyYACDCULCGZDMSB-UHFFFAOYSA-N
XLogP1.18
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55346504
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
CID 55431920
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30470697

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 55521187) is N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CC(C)CC(CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is YACDCULCGZDMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3S/c1-17(2)14-18(24-10-12-28-13-11-24)15-21-20-5-4-19(16-22-20)29(26,27)25-8-6-23(3)7-9-25/h4-5,16-18H,6-15H2,1-3H3,(H,21,22).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 425.60 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 55521187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).