(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

C15H18N6O3 — CID 134697154

IUPAC(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCn1ncnc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1
InChIInChI=1S/C15H18N6O3/c1-21-11(18-9-19-21)4-6-17-15(23)14-13(20-12(22)8-24-14)10-3-2-5-16-7-10/h2-3,5,7,9,13-14H,4,6,8H2,1H3,(H,17,23)(H,20,22)/t13-,14+/m1/s1
InChIKeyFNMHBQRGTWVEBW-KGLIPLIRSA-N
MW330.35 g/mol
LogP-0.87
Rot. Bonds5

About (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 134697154) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID134697154
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCn1ncnc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1
InChIInChI=1S/C15H18N6O3/c1-21-11(18-9-19-21)4-6-17-15(23)14-13(20-12(22)8-24-14)10-3-2-5-16-7-10/h2-3,5,7,9,13-14H,4,6,8H2,1H3,(H,17,23)(H,20,22)/t13-,14+/m1/s1
InChIKeyFNMHBQRGTWVEBW-KGLIPLIRSA-N
XLogP-0.87
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (CID 134697154) is (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is Cn1ncnc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is FNMHBQRGTWVEBW-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-21-11(18-9-19-21)4-6-17-15(23)14-13(20-12(22)8-24-14)10-3-2-5-16-7-10/h2-3,5,7,9,13-14H,4,6,8H2,1H3,(H,17,23)(H,20,22)/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134697154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).