N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide

C16H17N3O4 — CID 2256248

IUPACN'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H17N3O4/c1-22-12-3-4-14(23-2)13(9-12)19-16(21)15(20)18-10-11-5-7-17-8-6-11/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBAHDURDTVTUNEV-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.35
Rot. Bonds5

About N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 2256248) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID2256248
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H17N3O4/c1-22-12-3-4-14(23-2)13(9-12)19-16(21)15(20)18-10-11-5-7-17-8-6-11/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBAHDURDTVTUNEV-UHFFFAOYSA-N
XLogP1.35
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 2256248) is N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide is COc1ccc(OC)c(NC(=O)C(=O)NCc2ccncc2)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is BAHDURDTVTUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-12-3-4-14(23-2)13(9-12)19-16(21)15(20)18-10-11-5-7-17-8-6-11/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 315.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 2256248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).