2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide

C14H21N5O2 — CID 75614155

IUPAC2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide
SMILESCNC(=O)CON=C(N)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C14H21N5O2/c1-16-13(20)10-21-18-14(15)11-5-6-17-12(9-11)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10H2,1H3,(H2,15,18)(H,16,20)
InChIKeyDHDPZUZFHRSDFS-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.45
Rot. Bonds5

About 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide

2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide (PubChem CID 75614155) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide
PubChem CID75614155
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide
SMILESCNC(=O)CON=C(N)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C14H21N5O2/c1-16-13(20)10-21-18-14(15)11-5-6-17-12(9-11)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10H2,1H3,(H2,15,18)(H,16,20)
InChIKeyDHDPZUZFHRSDFS-UHFFFAOYSA-N
XLogP0.45
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 47079156
N'-hydroxy-2-piperidin-1-ylpyridine-4-carboximidamide
CID 135906764
2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 72692002
2-piperidin-1-yl-N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]pyridine-4-carboximidamide
CID 134007980
N'-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-2-piperidin-1-ylpyridine-4-carboximidamide
CID 97201635
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
CID 75264379
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 84574449
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide?
The IUPAC name of 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide (CID 75614155) is 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide.
What is the SMILES notation for 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide?
The canonical SMILES for 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide is CNC(=O)CON=C(N)c1ccnc(N2CCCCC2)c1.
What is the InChIKey of 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide?
The InChIKey is DHDPZUZFHRSDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-16-13(20)10-21-18-14(15)11-5-6-17-12(9-11)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10H2,1H3,(H2,15,18)(H,16,20).
What are the key properties of 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide?
2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide has a molecular weight of 291.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide is sourced from PubChem (CID 75614155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).