N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide

C17H19N3O2 — CID 44997614

IUPACN'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C17H19N3O2/c1-13-7-5-11-15(19-13)20-17(22)16(21)18-12-6-10-14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyQNEHLYRNMIOHBQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.08
Rot. Bonds5

About N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide

N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide (PubChem CID 44997614) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide
PubChem CID44997614
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C17H19N3O2/c1-13-7-5-11-15(19-13)20-17(22)16(21)18-12-6-10-14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyQNEHLYRNMIOHBQ-UHFFFAOYSA-N
XLogP2.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide (CID 44997614) is N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide is Cc1cccc(NC(=O)C(=O)NCCCc2ccccc2)n1.
What is the InChIKey of N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide?
The InChIKey is QNEHLYRNMIOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-7-5-11-15(19-13)20-17(22)16(21)18-12-6-10-14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide?
N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide has a molecular weight of 297.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methyl-2-pyridinyl)-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 44997614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).