4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

C18H21N7O2 — CID 166603626

IUPAC4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCc1cc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)n2ncnc2n1
InChIInChI=1S/C18H21N7O2/c1-12-8-16(25-18(23-12)21-11-22-25)24-6-3-13(4-7-24)10-27-14-2-5-20-15(9-14)17(19)26/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,19,26)
InChIKeyMPEZRUXKHWGFJX-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.22
Rot. Bonds5

About 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (PubChem CID 166603626) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
PubChem CID166603626
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCc1cc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)n2ncnc2n1
InChIInChI=1S/C18H21N7O2/c1-12-8-16(25-18(23-12)21-11-22-25)24-6-3-13(4-7-24)10-27-14-2-5-20-15(9-14)17(19)26/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,19,26)
InChIKeyMPEZRUXKHWGFJX-UHFFFAOYSA-N
XLogP1.22
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (CID 166603626) is 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is Cc1cc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)n2ncnc2n1.
What is the InChIKey of 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is MPEZRUXKHWGFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-8-16(25-18(23-12)21-11-22-25)24-6-3-13(4-7-24)10-27-14-2-5-20-15(9-14)17(19)26/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,19,26).
What are the key properties of 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166603626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).