(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H26N6O3 — CID 72887343

IUPAC(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ncccc2O)CC1
InChIInChI=1S/C19H26N6O3/c1-23-16(13-24-9-11-28-12-10-24)21-22-18(23)14-4-7-25(8-5-14)19(27)17-15(26)3-2-6-20-17/h2-3,6,14,26H,4-5,7-13H2,1H3
InChIKeySFEXRHHXCFYPJK-UHFFFAOYSA-N
MW386.46 g/mol
LogP0.77
Rot. Bonds4

About (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72887343) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72887343
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ncccc2O)CC1
InChIInChI=1S/C19H26N6O3/c1-23-16(13-24-9-11-28-12-10-24)21-22-18(23)14-4-7-25(8-5-14)19(27)17-15(26)3-2-6-20-17/h2-3,6,14,26H,4-5,7-13H2,1H3
InChIKeySFEXRHHXCFYPJK-UHFFFAOYSA-N
XLogP0.77
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72887343) is (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ncccc2O)CC1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is SFEXRHHXCFYPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-23-16(13-24-9-11-28-12-10-24)21-22-18(23)14-4-7-25(8-5-14)19(27)17-15(26)3-2-6-20-17/h2-3,6,14,26H,4-5,7-13H2,1H3.
What are the key properties of (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72887343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).