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

C22H30N4O3S — CID 133466589

IUPACN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccccc1C1(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCC1
InChIInChI=1S/C22H30N4O3S/c1-25-12-14-26(15-13-25)30(27,28)18-8-9-21(23-16-18)24-17-22(10-5-11-22)19-6-3-4-7-20(19)29-2/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,23,24)
InChIKeyMYTLQQOZCDDPAP-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.56
Rot. Bonds7

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

N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133466589) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133466589
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCOc1ccccc1C1(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCC1
InChIInChI=1S/C22H30N4O3S/c1-25-12-14-26(15-13-25)30(27,28)18-8-9-21(23-16-18)24-17-22(10-5-11-22)19-6-3-4-7-20(19)29-2/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,23,24)
InChIKeyMYTLQQOZCDDPAP-UHFFFAOYSA-N
XLogP2.56
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 55465237
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 60570237
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 55346754
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133405566
N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
CID 55511360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133466589) is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is COc1ccccc1C1(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is MYTLQQOZCDDPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-25-12-14-26(15-13-25)30(27,28)18-8-9-21(23-16-18)24-17-22(10-5-11-22)19-6-3-4-7-20(19)29-2/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,23,24).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 430.57 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133466589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).