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

C22H29FN4O3S — CID 60570237

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCC3(c4cccc(F)c4)CCOCC3)nc2)CC1
InChIInChI=1S/C22H29FN4O3S/c1-26-9-11-27(12-10-26)31(28,29)20-5-6-21(24-16-20)25-17-22(7-13-30-14-8-22)18-3-2-4-19(23)15-18/h2-6,15-16H,7-14,17H2,1H3,(H,24,25)
InChIKeyZANYIZMVDKTJHI-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.32
Rot. Bonds6

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

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 60570237) has the molecular formula C22H29FN4O3S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID60570237
Molecular FormulaC22H29FN4O3S
Molecular Weight448.56 g/mol
Exact Mass448.19
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCC3(c4cccc(F)c4)CCOCC3)nc2)CC1
InChIInChI=1S/C22H29FN4O3S/c1-26-9-11-27(12-10-26)31(28,29)20-5-6-21(24-16-20)25-17-22(7-13-30-14-8-22)18-3-2-4-19(23)15-18/h2-6,15-16H,7-14,17H2,1H3,(H,24,25)
InChIKeyZANYIZMVDKTJHI-UHFFFAOYSA-N
XLogP2.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236
5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 55465237
N-ethyl-6-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]-N-phenylpyridine-3-sulfonamide
CID 60570272
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133466589
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55521187
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176502841
3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60570273
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
CID 55431920

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 60570237) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(NCC3(c4cccc(F)c4)CCOCC3)nc2)CC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is ZANYIZMVDKTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3S/c1-26-9-11-27(12-10-26)31(28,29)20-5-6-21(24-16-20)25-17-22(7-13-30-14-8-22)18-3-2-4-19(23)15-18/h2-6,15-16H,7-14,17H2,1H3,(H,24,25).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 448.56 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 60570237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).