[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate

C19H24N4O4 — CID 87474140

IUPAC[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate
SMILESN/C(=N\OCC(CN1CCCCC1)OC(=O)c1ccco1)c1cccnc1
InChIInChI=1S/C19H24N4O4/c20-18(15-6-4-8-21-12-15)22-26-14-16(13-23-9-2-1-3-10-23)27-19(24)17-7-5-11-25-17/h4-8,11-12,16H,1-3,9-10,13-14H2,(H2,20,22)
InChIKeyGWXRJNACLUXYSO-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.02
Rot. Bonds8

About [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate

[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate (PubChem CID 87474140) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate
PubChem CID87474140
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate
SMILESN/C(=N\OCC(CN1CCCCC1)OC(=O)c1ccco1)c1cccnc1
InChIInChI=1S/C19H24N4O4/c20-18(15-6-4-8-21-12-15)22-26-14-16(13-23-9-2-1-3-10-23)27-19(24)17-7-5-11-25-17/h4-8,11-12,16H,1-3,9-10,13-14H2,(H2,20,22)
InChIKeyGWXRJNACLUXYSO-UHFFFAOYSA-N
XLogP2.02
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate with MolForge

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Related Compounds

[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate
CID 139785157
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
[1-[(Z)-[chloro(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] benzoate
CID 87475056
N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
CID 57148724
(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride
CID 117068713
N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
CID 87475486
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide
CID 76582869
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287
1,3-diaminopropan-2-yl furan-2-carboxylate;dihydrochloride
CID 139769684
N'-methoxypyridine-3-carboximidamide
CID 82467799

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate (CID 87474140) is [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate is N/C(=N\OCC(CN1CCCCC1)OC(=O)c1ccco1)c1cccnc1.
What is the InChIKey of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate?
The InChIKey is GWXRJNACLUXYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-18(15-6-4-8-21-12-15)22-26-14-16(13-23-9-2-1-3-10-23)27-19(24)17-7-5-11-25-17/h4-8,11-12,16H,1-3,9-10,13-14H2,(H2,20,22).
What are the key properties of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate?
[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 87474140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).