2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide

C16H22N6O2 — CID 96510603

IUPAC2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide
SMILESCC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3cccnc3)CCO2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)15-19-16(21-20-15)13-9-22(6-7-24-13)10-14(23)18-12-4-3-5-17-8-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyBWJRHSVZDFYQFI-ZDUSSCGKSA-N
MW330.39 g/mol
LogP1.34
Rot. Bonds5

About 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide

2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide (PubChem CID 96510603) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide
PubChem CID96510603
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide
SMILESCC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3cccnc3)CCO2)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)15-19-16(21-20-15)13-9-22(6-7-24-13)10-14(23)18-12-4-3-5-17-8-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyBWJRHSVZDFYQFI-ZDUSSCGKSA-N
XLogP1.34
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide (CID 96510603) is 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide is CC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3cccnc3)CCO2)n1.
What is the InChIKey of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide?
The InChIKey is BWJRHSVZDFYQFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)15-19-16(21-20-15)13-9-22(6-7-24-13)10-14(23)18-12-4-3-5-17-8-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,18,23)(H,19,20,21)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide?
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide has a molecular weight of 330.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 96510603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).