[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium

C14H18N3O2+ — CID 5043626

IUPAC[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium
SMILESC[NH+](C)C(CNC(=O)c1ccco1)c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-17(2)12(11-5-3-7-15-9-11)10-16-14(18)13-6-4-8-19-13/h3-9,12H,10H2,1-2H3,(H,16,18)/p+1
InChIKeyTVFHAFZJAZJZFW-UHFFFAOYSA-O
MW260.32 g/mol
LogP0.29
Rot. Bonds5

About [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium

[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium (PubChem CID 5043626) has the molecular formula C14H18N3O2+ and a molecular weight of 260.32 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium
PubChem CID5043626
Molecular FormulaC14H18N3O2+
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium
SMILESC[NH+](C)C(CNC(=O)c1ccco1)c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-17(2)12(11-5-3-7-15-9-11)10-16-14(18)13-6-4-8-19-13/h3-9,12H,10H2,1-2H3,(H,16,18)/p+1
InChIKeyTVFHAFZJAZJZFW-UHFFFAOYSA-O
XLogP0.29
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
CID 82090064
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 3503410
N-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 3576786
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
CID 20897090
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]furan-2-carboxamide
CID 44995255
(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
CID 131866589

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium?
The IUPAC name of [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium (CID 5043626) is [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium.
What is the SMILES notation for [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium?
The canonical SMILES for [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium is C[NH+](C)C(CNC(=O)c1ccco1)c1cccnc1.
What is the InChIKey of [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium?
The InChIKey is TVFHAFZJAZJZFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17N3O2/c1-17(2)12(11-5-3-7-15-9-11)10-16-14(18)13-6-4-8-19-13/h3-9,12H,10H2,1-2H3,(H,16,18)/p+1.
What are the key properties of [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium?
[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium has a molecular weight of 260.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium is sourced from PubChem (CID 5043626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).