(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide

C17H19N5O3 — CID 97242314

IUPAC(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)NCc3nnc4ccccn34)CCO2)o1
InChIInChI=1S/C17H19N5O3/c1-12-5-6-13(25-12)14-11-21(8-9-24-14)17(23)18-10-16-20-19-15-4-2-3-7-22(15)16/h2-7,14H,8-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyBWHPJWNJHAKGEW-AWEZNQCLSA-N
MW341.37 g/mol
LogP1.91
Rot. Bonds3

About (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide

(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide (PubChem CID 97242314) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
PubChem CID97242314
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)NCc3nnc4ccccn34)CCO2)o1
InChIInChI=1S/C17H19N5O3/c1-12-5-6-13(25-12)14-11-21(8-9-24-14)17(23)18-10-16-20-19-15-4-2-3-7-22(15)16/h2-7,14H,8-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyBWHPJWNJHAKGEW-AWEZNQCLSA-N
XLogP1.91
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 71969624
N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
(2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide
CID 94179439
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75432430
N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75389166
(2R)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071302
(2S)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071301
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 109398792
4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 51083679
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide
CID 109480086
N-ethyl-2-(2-methylphenyl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109481388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide (CID 97242314) is (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide is Cc1ccc([C@@H]2CN(C(=O)NCc3nnc4ccccn34)CCO2)o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
The InChIKey is BWHPJWNJHAKGEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12-5-6-13(25-12)14-11-21(8-9-24-14)17(23)18-10-16-20-19-15-4-2-3-7-22(15)16/h2-7,14H,8-11H2,1H3,(H,18,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97242314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).