N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide

C14H15N3O2 — CID 169111239

IUPACN'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide
SMILESCCN(Cc1nccc2ccccc12)C(=O)C(N)=O
InChIInChI=1S/C14H15N3O2/c1-2-17(14(19)13(15)18)9-12-11-6-4-3-5-10(11)7-8-16-12/h3-8H,2,9H2,1H3,(H2,15,18)
InChIKeyFRASSWJZUMOIEN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.07
Rot. Bonds3

About N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide

N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide (PubChem CID 169111239) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide
PubChem CID169111239
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide
SMILESCCN(Cc1nccc2ccccc12)C(=O)C(N)=O
InChIInChI=1S/C14H15N3O2/c1-2-17(14(19)13(15)18)9-12-11-6-4-3-5-10(11)7-8-16-12/h3-8H,2,9H2,1H3,(H2,15,18)
InChIKeyFRASSWJZUMOIEN-UHFFFAOYSA-N
XLogP1.07
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide?
The IUPAC name of N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide (CID 169111239) is N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide?
The canonical SMILES for N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide is CCN(Cc1nccc2ccccc12)C(=O)C(N)=O.
What is the InChIKey of N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide?
The InChIKey is FRASSWJZUMOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-17(14(19)13(15)18)9-12-11-6-4-3-5-10(11)7-8-16-12/h3-8H,2,9H2,1H3,(H2,15,18).
What are the key properties of N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide?
N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide has a molecular weight of 257.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(isoquinolin-1-ylmethyl)oxamide is sourced from PubChem (CID 169111239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).