5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide

C12H18N4O2 — CID 111601348

IUPAC5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)o1
InChIInChI=1S/C12H18N4O2/c13-11(17)10-5-4-9(18-10)8-15-12(14)16-6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H2,13,17)(H2,14,15)
InChIKeyDMTGLRPSEINMTK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.68
Rot. Bonds3

About 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide

5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide (PubChem CID 111601348) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide
PubChem CID111601348
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)o1
InChIInChI=1S/C12H18N4O2/c13-11(17)10-5-4-9(18-10)8-15-12(14)16-6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H2,13,17)(H2,14,15)
InChIKeyDMTGLRPSEINMTK-UHFFFAOYSA-N
XLogP0.68
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]furan-2-carboxamide
CID 111601304
ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate
CID 111859583
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 119151879
[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 134162774
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111048623
N'-[(2-ethyl-1,3-oxazol-5-yl)methyl]azepane-1-carboximidamide
CID 122097891
5-[[[(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 119163057
N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110029125
N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111052563

Frequently Asked Questions

What is the IUPAC name of 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide (CID 111601348) is 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide is NC(=O)c1ccc(C/N=C(\N)N2CCCCC2)o1.
What is the InChIKey of 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide?
The InChIKey is DMTGLRPSEINMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11(17)10-5-4-9(18-10)8-15-12(14)16-6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H2,13,17)(H2,14,15).
What are the key properties of 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide?
5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 111601348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).