5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine

C17H20BrN3O2S — CID 133374222

IUPAC5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20BrN3O2S/c1-13-10-15(18)12-20-17(13)19-11-14-4-6-16(7-5-14)24(22,23)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,20)
InChIKeyATLQVUVGCMLWSK-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.55
Rot. Bonds5

About 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine

5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine (PubChem CID 133374222) has the molecular formula C17H20BrN3O2S and a molecular weight of 410.34 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
PubChem CID133374222
Molecular FormulaC17H20BrN3O2S
Molecular Weight410.34 g/mol
Exact Mass409.05
IUPAC Name5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20BrN3O2S/c1-13-10-15(18)12-20-17(13)19-11-14-4-6-16(7-5-14)24(22,23)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,20)
InChIKeyATLQVUVGCMLWSK-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133374157
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133317905
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
2-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 55829240
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504142
5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152979
2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
CID 133396475
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine (CID 133374222) is 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine is Cc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The InChIKey is ATLQVUVGCMLWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2S/c1-13-10-15(18)12-20-17(13)19-11-14-4-6-16(7-5-14)24(22,23)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,20).
What are the key properties of 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine has a molecular weight of 410.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133374222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).