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

C17H21ClN4O2S — CID 67509145

IUPACN-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1
InChIInChI=1S/C17H21ClN4O2S/c1-12-3-4-16(19-10-12)14-9-17(20-11-15(14)18)22-7-5-13(6-8-22)21-25(2,23)24/h3-4,9-11,13,21H,5-8H2,1-2H3
InChIKeyKXFMQCXSAQYXGO-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.62
Rot. Bonds4

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

N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67509145) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67509145
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC NameN-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1
InChIInChI=1S/C17H21ClN4O2S/c1-12-3-4-16(19-10-12)14-9-17(20-11-15(14)18)22-7-5-13(6-8-22)21-25(2,23)24/h3-4,9-11,13,21H,5-8H2,1-2H3
InChIKeyKXFMQCXSAQYXGO-UHFFFAOYSA-N
XLogP2.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-chloro-4-(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-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67509145) is N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is Cc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1.
What is the InChIKey of N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is KXFMQCXSAQYXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-12-3-4-16(19-10-12)14-9-17(20-11-15(14)18)22-7-5-13(6-8-22)21-25(2,23)24/h3-4,9-11,13,21H,5-8H2,1-2H3.
What are the key properties of N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67509145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).