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

C16H17N5O2S — CID 71969624

IUPAC2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)N1CCOC(c2cccs2)C1
InChIInChI=1S/C16H17N5O2S/c22-16(17-10-15-19-18-14-5-1-2-6-21(14)15)20-7-8-23-12(11-20)13-4-3-9-24-13/h1-6,9,12H,7-8,10-11H2,(H,17,22)
InChIKeyZXJWFNSDMJRRLZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.07
Rot. Bonds3

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

2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide (PubChem CID 71969624) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
PubChem CID71969624
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)N1CCOC(c2cccs2)C1
InChIInChI=1S/C16H17N5O2S/c22-16(17-10-15-19-18-14-5-1-2-6-21(14)15)20-7-8-23-12(11-20)13-4-3-9-24-13/h1-6,9,12H,7-8,10-11H2,(H,17,22)
InChIKeyZXJWFNSDMJRRLZ-UHFFFAOYSA-N
XLogP2.07
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 97242314
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
(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
CID 124609983
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 51083679
N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
CID 71918287
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide
CID 97068224
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
4-acetyl-N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119115966
N-ethyl-2-(2-methylphenyl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109481388
1-[(2R,3R)-2-phenyloxolan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 95971556

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide (CID 71969624) is 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide is O=C(NCc1nnc2ccccn12)N1CCOC(c2cccs2)C1.
What is the InChIKey of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
The InChIKey is ZXJWFNSDMJRRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-16(17-10-15-19-18-14-5-1-2-6-21(14)15)20-7-8-23-12(11-20)13-4-3-9-24-13/h1-6,9,12H,7-8,10-11H2,(H,17,22).
What are the key properties of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide?
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71969624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).