N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C17H21ClN4O2S — CID 67508468

IUPACN-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl
InChIInChI=1S/C17H21ClN4O2S/c1-12-4-3-9-19-16(12)17-14(18)5-6-15(20-17)22-10-7-13(8-11-22)21-25(2,23)24/h3-6,9,13,21H,7-8,10-11H2,1-2H3
InChIKeyKYBHGOBKVJFZEB-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.62
Rot. Bonds4

About N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67508468) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67508468
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC NameN-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl
InChIInChI=1S/C17H21ClN4O2S/c1-12-4-3-9-19-16(12)17-14(18)5-6-15(20-17)22-10-7-13(8-11-22)21-25(2,23)24/h3-6,9,13,21H,7-8,10-11H2,1-2H3
InChIKeyKYBHGOBKVJFZEB-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67508468) is N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl.
What is the InChIKey of N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is KYBHGOBKVJFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-12-4-3-9-19-16(12)17-14(18)5-6-15(20-17)22-10-7-13(8-11-22)21-25(2,23)24/h3-6,9,13,21H,7-8,10-11H2,1-2H3.
What are the key properties of N-[1-[5-chloro-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-chloro-6-(3-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-6-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67508468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).