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

C16H20ClN5O2S — CID 69045593

IUPACN-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1
InChIInChI=1S/C16H20ClN5O2S/c1-11-3-4-14(18-9-11)15-13(17)10-19-16(20-15)22-7-5-12(6-8-22)21-25(2,23)24/h3-4,9-10,12,21H,5-8H2,1-2H3
InChIKeyBDNGRZRQJSFVDU-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.02
Rot. Bonds4

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

N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 69045593) has the molecular formula C16H20ClN5O2S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID69045593
Molecular FormulaC16H20ClN5O2S
Molecular Weight381.89 g/mol
Exact Mass381.10
IUPAC NameN-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1
InChIInChI=1S/C16H20ClN5O2S/c1-11-3-4-14(18-9-11)15-13(17)10-19-16(20-15)22-7-5-12(6-8-22)21-25(2,23)24/h3-4,9-10,12,21H,5-8H2,1-2H3
InChIKeyBDNGRZRQJSFVDU-UHFFFAOYSA-N
XLogP2.02
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (CID 69045593) is N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1.
What is the InChIKey of N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is BDNGRZRQJSFVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2S/c1-11-3-4-14(18-9-11)15-13(17)10-19-16(20-15)22-7-5-12(6-8-22)21-25(2,23)24/h3-4,9-10,12,21H,5-8H2,1-2H3.
What are the key properties of N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 381.89 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 69045593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).