N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

C18H20F3N3O2S — CID 8892754

IUPACN-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C18H20F3N3O2S/c1-23(13-14-4-6-15(7-5-14)18(19,20)21)17-9-8-16(12-22-17)27(25,26)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3
InChIKeyMDKULSWPJSJUSN-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 8892754) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
PubChem CID8892754
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC NameN-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C18H20F3N3O2S/c1-23(13-14-4-6-15(7-5-14)18(19,20)21)17-9-8-16(12-22-17)27(25,26)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3
InChIKeyMDKULSWPJSJUSN-UHFFFAOYSA-N
XLogP3.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 31920963
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308607
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133288130
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9195193
N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 78805459
N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 4877465
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 71977898
N-(4-fluorophenyl)-2-[methyl-(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195440

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (CID 8892754) is N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is MDKULSWPJSJUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c1-23(13-14-4-6-15(7-5-14)18(19,20)21)17-9-8-16(12-22-17)27(25,26)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3.
What are the key properties of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 399.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 8892754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).