(2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide

C15H21N5O2 — CID 121346559

IUPAC(2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)nnc12
InChIInChI=1S/C15H21N5O2/c1-10-5-4-7-20-12(10)18-19-14(20)15(2,3)17-13(21)11-9-16-6-8-22-11/h4-5,7,11,16H,6,8-9H2,1-3H3,(H,17,21)/t11-/m0/s1
InChIKeyUKIHWFHDMYMUGP-NSHDSACASA-N
MW303.37 g/mol
LogP0.38
Rot. Bonds3

About (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide

(2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide (PubChem CID 121346559) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide
PubChem CID121346559
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)nnc12
InChIInChI=1S/C15H21N5O2/c1-10-5-4-7-20-12(10)18-19-14(20)15(2,3)17-13(21)11-9-16-6-8-22-11/h4-5,7,11,16H,6,8-9H2,1-3H3,(H,17,21)/t11-/m0/s1
InChIKeyUKIHWFHDMYMUGP-NSHDSACASA-N
XLogP0.38
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide (CID 121346559) is (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide is Cc1cccn2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)nnc12.
What is the InChIKey of (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
The InChIKey is UKIHWFHDMYMUGP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-5-4-7-20-12(10)18-19-14(20)15(2,3)17-13(21)11-9-16-6-8-22-11/h4-5,7,11,16H,6,8-9H2,1-3H3,(H,17,21)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
(2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 121346559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).