(2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide

C14H19N5O2 — CID 94179439

IUPAC(2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCc2nnc3ccccn23)CCO1
InChIInChI=1S/C14H19N5O2/c1-11-10-18(8-9-21-11)14(20)15-6-5-13-17-16-12-4-2-3-7-19(12)13/h2-4,7,11H,5-6,8-10H2,1H3,(H,15,20)/t11-/m0/s1
InChIKeyMNZVOQRNYCOGFF-NSHDSACASA-N
MW289.34 g/mol
LogP0.70
Rot. Bonds3

About (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide

(2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide (PubChem CID 94179439) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide
PubChem CID94179439
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCc2nnc3ccccn23)CCO1
InChIInChI=1S/C14H19N5O2/c1-11-10-18(8-9-21-11)14(20)15-6-5-13-17-16-12-4-2-3-7-19(12)13/h2-4,7,11H,5-6,8-10H2,1H3,(H,15,20)/t11-/m0/s1
InChIKeyMNZVOQRNYCOGFF-NSHDSACASA-N
XLogP0.70
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide with MolForge

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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
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 94167814
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 71969624
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63714986
1-(cyclobutylmethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47221589
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
2-(aminomethyl)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 115432348
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
N'-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111367706
N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide
CID 109480086
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide (CID 94179439) is (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)NCCc2nnc3ccccn23)CCO1.
What is the InChIKey of (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is MNZVOQRNYCOGFF-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-10-18(8-9-21-11)14(20)15-6-5-13-17-16-12-4-2-3-7-19(12)13/h2-4,7,11H,5-6,8-10H2,1H3,(H,15,20)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide?
(2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 94179439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).