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

C20H30N4O2 — CID 3113989

IUPACN'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(22-16-18-14-10-11-15-21-18)20(26)24-23-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15H,1-9,12-13,16H2,(H,22,25)(H,24,26)
InChIKeyBTLKPAVGSVUETA-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.47
Rot. Bonds3

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

N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 3113989) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID3113989
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(22-16-18-14-10-11-15-21-18)20(26)24-23-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15H,1-9,12-13,16H2,(H,22,25)(H,24,26)
InChIKeyBTLKPAVGSVUETA-UHFFFAOYSA-N
XLogP3.47
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.47
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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Related Compounds

N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N'-(4-pyridinylmethylene)-2-(4-toluidino)acetohydrazide
CID 9593998
1,2-Dihydro-1-(2-(2-pyridyl)-ethyl)-3,6-pyridazinedione
CID 265886
6-(Pyridin-2-yl)pyridazin-3-ol
CID 4980022
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
2-[2-(4-tert-butylcyclohexylidene)hydrazino]-2-oxo-N-(3-pyridinylmethyl)acetamide
CID 2875252
2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884226
N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
CID 6885445
6-Pyridin-2-ylmethyl-pyridazin-3-ol
CID 3580136
N-((1E)-2-(4-pyridyl)-1-azavinyl)-2-(phenylamino)acetamide
CID 9579814
2-(2-Pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione
CID 73296362

Frequently Asked Questions

What is the IUPAC name of N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide (CID 3113989) is N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)NN=C1CCCCCCCCCCC1.
What is the InChIKey of N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is BTLKPAVGSVUETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(22-16-18-14-10-11-15-21-18)20(26)24-23-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15H,1-9,12-13,16H2,(H,22,25)(H,24,26).
What are the key properties of N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide?
N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 358.49 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclododecylideneamino)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 3113989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).