4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

C24H27N5O2S — CID 26335205

IUPAC4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCSc1ncc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)cn1
InChIInChI=1S/C24H27N5O2S/c1-32-24-27-14-18(15-28-24)17-29-12-9-22(10-13-29)31-21-7-5-19(6-8-21)23(30)26-16-20-4-2-3-11-25-20/h2-8,11,14-15,22H,9-10,12-13,16-17H2,1H3,(H,26,30)
InChIKeyYUXLZDIWONTMRY-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.57
Rot. Bonds8

About 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 26335205) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID26335205
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCSc1ncc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)cn1
InChIInChI=1S/C24H27N5O2S/c1-32-24-27-14-18(15-28-24)17-29-12-9-22(10-13-29)31-21-7-5-19(6-8-21)23(30)26-16-20-4-2-3-11-25-20/h2-8,11,14-15,22H,9-10,12-13,16-17H2,1H3,(H,26,30)
InChIKeyYUXLZDIWONTMRY-UHFFFAOYSA-N
XLogP3.57
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (CID 26335205) is 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is CSc1ncc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)cn1.
What is the InChIKey of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YUXLZDIWONTMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-32-24-27-14-18(15-28-24)17-29-12-9-22(10-13-29)31-21-7-5-19(6-8-21)23(30)26-16-20-4-2-3-11-25-20/h2-8,11,14-15,22H,9-10,12-13,16-17H2,1H3,(H,26,30).
What are the key properties of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 449.58 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 26335205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).