2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C14H18N4O2 — CID 6884226

IUPAC2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(N/N=C/c1ccccn1)C(=O)N1CCCCCC1
InChIInChI=1S/C14H18N4O2/c19-13(14(20)18-9-5-1-2-6-10-18)17-16-11-12-7-3-4-8-15-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,19)/b16-11+
InChIKeyMFJCIQAEKBAHGV-LFIBNONCSA-N
MW274.32 g/mol
LogP0.93
Rot. Bonds2

About 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 6884226) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID6884226
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(N/N=C/c1ccccn1)C(=O)N1CCCCCC1
InChIInChI=1S/C14H18N4O2/c19-13(14(20)18-9-5-1-2-6-10-18)17-16-11-12-7-3-4-8-15-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,19)/b16-11+
InChIKeyMFJCIQAEKBAHGV-LFIBNONCSA-N
XLogP0.93
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
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
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
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
CID 6885445
6-Pyridin-2-ylmethyl-pyridazin-3-ol
CID 3580136
2,2-Dimethyl-1-(3-pyridin-2-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703734
2-Pyridylformaldehyde semicarbazone
CID 9576645
2-(2-cyclooctylidenehydrazinyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 5023161
N'-[1-(2-pyridinyl)ethylidene]hexanohydrazide
CID 5720740

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 6884226) is 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is O=C(N/N=C/c1ccccn1)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is MFJCIQAEKBAHGV-LFIBNONCSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13(14(20)18-9-5-1-2-6-10-18)17-16-11-12-7-3-4-8-15-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,19)/b16-11+.
What are the key properties of 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6884226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).