4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

C17H20BrN5O2S — CID 166603383

IUPAC4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCSc1ncc(Br)c(N2CCC(COc3ccnc(C(N)=O)c3)CC2)n1
InChIInChI=1S/C17H20BrN5O2S/c1-26-17-21-9-13(18)16(22-17)23-6-3-11(4-7-23)10-25-12-2-5-20-14(8-12)15(19)24/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H2,19,24)
InChIKeyZZEKBJJXABEYBP-UHFFFAOYSA-N
MW438.35 g/mol
LogP2.75
Rot. Bonds6

About 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (PubChem CID 166603383) has the molecular formula C17H20BrN5O2S and a molecular weight of 438.35 g/mol. Its IUPAC name is 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
PubChem CID166603383
Molecular FormulaC17H20BrN5O2S
Molecular Weight438.35 g/mol
Exact Mass437.05
IUPAC Name4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCSc1ncc(Br)c(N2CCC(COc3ccnc(C(N)=O)c3)CC2)n1
InChIInChI=1S/C17H20BrN5O2S/c1-26-17-21-9-13(18)16(22-17)23-6-3-11(4-7-23)10-25-12-2-5-20-14(8-12)15(19)24/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H2,19,24)
InChIKeyZZEKBJJXABEYBP-UHFFFAOYSA-N
XLogP2.75
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603752
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166601537
5-bromo-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-2-methylsulfanylpyrimidine
CID 165435366
4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602502
4-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methoxy]pyridine-2-carboxamide
CID 166603591
4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603626
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603548
4-[[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602822
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431697
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345409
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172893574
4-[[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166600547

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (CID 166603383) is 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is CSc1ncc(Br)c(N2CCC(COc3ccnc(C(N)=O)c3)CC2)n1.
What is the InChIKey of 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is ZZEKBJJXABEYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O2S/c1-26-17-21-9-13(18)16(22-17)23-6-3-11(4-7-23)10-25-12-2-5-20-14(8-12)15(19)24/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H2,19,24).
What are the key properties of 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 438.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166603383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).