N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide

C13H19N3O2 — CID 3642312

IUPACN-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide
SMILESCCN1CCC(=NNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C13H19N3O2/c1-3-16-7-4-11(5-8-16)14-15-13(17)12-6-9-18-10(12)2/h6,9H,3-5,7-8H2,1-2H3,(H,15,17)
InChIKeyLHGQYPSTUMZUMY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds3

About N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide

N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide (PubChem CID 3642312) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide
PubChem CID3642312
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide
SMILESCCN1CCC(=NNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C13H19N3O2/c1-3-16-7-4-11(5-8-16)14-15-13(17)12-6-9-18-10(12)2/h6,9H,3-5,7-8H2,1-2H3,(H,15,17)
InChIKeyLHGQYPSTUMZUMY-UHFFFAOYSA-N
XLogP1.79
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide
CID 3716947
4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide
CID 19685721
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
(4E)-3-methyl-4-[(2-methylfuran-3-carbonyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161157
2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide
CID 4990217
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733
2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide
CID 842534
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 55383928
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide (CID 3642312) is N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide is CCN1CCC(=NNC(=O)c2ccoc2C)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide?
The InChIKey is LHGQYPSTUMZUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16-7-4-11(5-8-16)14-15-13(17)12-6-9-18-10(12)2/h6,9H,3-5,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide?
N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 3642312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).