N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide

C18H15N3O2 — CID 2218026

IUPACN'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15N3O2/c22-17(20-12-14-8-3-4-11-19-14)18(23)21-16-10-5-7-13-6-1-2-9-15(13)16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeyJRIKZJCXLKYYPZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.49
Rot. Bonds3

About N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide

N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2218026) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide
PubChem CID2218026
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15N3O2/c22-17(20-12-14-8-3-4-11-19-14)18(23)21-16-10-5-7-13-6-1-2-9-15(13)16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeyJRIKZJCXLKYYPZ-UHFFFAOYSA-N
XLogP2.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
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'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide (CID 2218026) is N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is JRIKZJCXLKYYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17(20-12-14-8-3-4-11-19-14)18(23)21-16-10-5-7-13-6-1-2-9-15(13)16/h1-11H,12H2,(H,20,22)(H,21,23).
What are the key properties of N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide?
N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 305.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-yl-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2218026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).