2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide

C17H15N5O3S — CID 158589219

IUPAC2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide
SMILESNC(=O)C(=O)C(CC(=O)c1n[nH]nc1-c1ccccn1)Cc1ccsc1
InChIInChI=1S/C17H15N5O3S/c18-17(25)16(24)11(7-10-4-6-26-9-10)8-13(23)15-14(20-22-21-15)12-3-1-2-5-19-12/h1-6,9,11H,7-8H2,(H2,18,25)(H,20,21,22)
InChIKeyHUFRVEDCLCQTON-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.41
Rot. Bonds8

About 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide

2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide (PubChem CID 158589219) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide
PubChem CID158589219
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide
SMILESNC(=O)C(=O)C(CC(=O)c1n[nH]nc1-c1ccccn1)Cc1ccsc1
InChIInChI=1S/C17H15N5O3S/c18-17(25)16(24)11(7-10-4-6-26-9-10)8-13(23)15-14(20-22-21-15)12-3-1-2-5-19-12/h1-6,9,11H,7-8H2,(H2,18,25)(H,20,21,22)
InChIKeyHUFRVEDCLCQTON-UHFFFAOYSA-N
XLogP1.41
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide?
The IUPAC name of 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide (CID 158589219) is 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide.
What is the SMILES notation for 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide?
The canonical SMILES for 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide is NC(=O)C(=O)C(CC(=O)c1n[nH]nc1-c1ccccn1)Cc1ccsc1.
What is the InChIKey of 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide?
The InChIKey is HUFRVEDCLCQTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c18-17(25)16(24)11(7-10-4-6-26-9-10)8-13(23)15-14(20-22-21-15)12-3-1-2-5-19-12/h1-6,9,11H,7-8H2,(H2,18,25)(H,20,21,22).
What are the key properties of 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide?
2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide has a molecular weight of 369.41 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide is sourced from PubChem (CID 158589219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).