N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide

C16H22N4O2 — CID 5023161

IUPACN'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NN=C1CCCCCCC1
InChIInChI=1S/C16H22N4O2/c21-15(18-12-14-10-6-7-11-17-14)16(22)20-19-13-8-4-2-1-3-5-9-13/h6-7,10-11H,1-5,8-9,12H2,(H,18,21)(H,20,22)
InChIKeyWKTDOXAYLRNLJQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.91
Rot. Bonds3

About N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide

N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 5023161) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID5023161
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NN=C1CCCCCCC1
InChIInChI=1S/C16H22N4O2/c21-15(18-12-14-10-6-7-11-17-14)16(22)20-19-13-8-4-2-1-3-5-9-13/h6-7,10-11H,1-5,8-9,12H2,(H,18,21)(H,20,22)
InChIKeyWKTDOXAYLRNLJQ-UHFFFAOYSA-N
XLogP1.91
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide (CID 5023161) is N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)NN=C1CCCCCCC1.
What is the InChIKey of N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is WKTDOXAYLRNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(18-12-14-10-6-7-11-17-14)16(22)20-19-13-8-4-2-1-3-5-9-13/h6-7,10-11H,1-5,8-9,12H2,(H,18,21)(H,20,22).
What are the key properties of N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 302.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclooctylideneamino)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 5023161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).