N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

C17H20N4O2 — CID 86995830

IUPACN-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1N(C)C)c1ccncc1
InChIInChI=1S/C17H20N4O2/c1-12(13-8-10-18-11-9-13)19-16(22)17(23)20-14-6-4-5-7-15(14)21(2)3/h4-12H,1-3H3,(H,19,22)(H,20,23)
InChIKeyLZGPHXCWIOGFCE-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (PubChem CID 86995830) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
PubChem CID86995830
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1N(C)C)c1ccncc1
InChIInChI=1S/C17H20N4O2/c1-12(13-8-10-18-11-9-13)19-16(22)17(23)20-14-6-4-5-7-15(14)21(2)3/h4-12H,1-3H3,(H,19,22)(H,20,23)
InChIKeyLZGPHXCWIOGFCE-UHFFFAOYSA-N
XLogP1.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (CID 86995830) is N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is CC(NC(=O)C(=O)Nc1ccccc1N(C)C)c1ccncc1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The InChIKey is LZGPHXCWIOGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(13-8-10-18-11-9-13)19-16(22)17(23)20-14-6-4-5-7-15(14)21(2)3/h4-12H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide has a molecular weight of 312.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 86995830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).