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

C18H22BrN3O2S — CID 133373024

IUPAC5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22BrN3O2S/c1-14-11-16(19)13-21-18(14)20-12-15-5-7-17(8-6-15)25(23,24)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,20,21)
InChIKeyFNGHRMXLEHNPEZ-UHFFFAOYSA-N
MW424.36 g/mol
LogP3.94
Rot. Bonds5

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

5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine (PubChem CID 133373024) has the molecular formula C18H22BrN3O2S and a molecular weight of 424.36 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
PubChem CID133373024
Molecular FormulaC18H22BrN3O2S
Molecular Weight424.36 g/mol
Exact Mass423.06
IUPAC Name5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22BrN3O2S/c1-14-11-16(19)13-21-18(14)20-12-15-5-7-17(8-6-15)25(23,24)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,20,21)
InChIKeyFNGHRMXLEHNPEZ-UHFFFAOYSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222
4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133374157
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133317905
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504142
2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
CID 133396475
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
CID 155524525
2-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 55829240
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine (CID 133373024) is 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine is Cc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The InChIKey is FNGHRMXLEHNPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2S/c1-14-11-16(19)13-21-18(14)20-12-15-5-7-17(8-6-15)25(23,24)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,20,21).
What are the key properties of 5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine has a molecular weight of 424.36 g/mol, XLogP of 3.94, 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-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133373024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).