N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C17H21BrN4O2S — CID 69045594

IUPACN-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1
InChIInChI=1S/C17H21BrN4O2S/c1-12-3-5-15(19-11-12)17-14(18)4-6-16(20-17)22-9-7-13(8-10-22)21-25(2,23)24/h3-6,11,13,21H,7-10H2,1-2H3
InChIKeyNAOPBCISQQKFDC-UHFFFAOYSA-N
MW425.35 g/mol
LogP2.73
Rot. Bonds4

About N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 69045594) has the molecular formula C17H21BrN4O2S and a molecular weight of 425.35 g/mol. Its IUPAC name is N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID69045594
Molecular FormulaC17H21BrN4O2S
Molecular Weight425.35 g/mol
Exact Mass424.06
IUPAC NameN-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1
InChIInChI=1S/C17H21BrN4O2S/c1-12-3-5-15(19-11-12)17-14(18)4-6-16(20-17)22-9-7-13(8-10-22)21-25(2,23)24/h3-6,11,13,21H,7-10H2,1-2H3
InChIKeyNAOPBCISQQKFDC-UHFFFAOYSA-N
XLogP2.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 69045594) is N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1.
What is the InChIKey of N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is NAOPBCISQQKFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2S/c1-12-3-5-15(19-11-12)17-14(18)4-6-16(20-17)22-9-7-13(8-10-22)21-25(2,23)24/h3-6,11,13,21H,7-10H2,1-2H3.
What are the key properties of N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 425.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-bromo-6-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 69045594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).