methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride

C19H19ClN2O3 — CID 17332875

IUPACmethyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1.Cl
InChIInChI=1S/C19H18N2O3.ClH/c1-23-19(22)16-4-2-15(3-5-16)18-7-6-17(24-18)13-21-12-14-8-10-20-11-9-14;/h2-11,21H,12-13H2,1H3;1H
InChIKeyJLWAZEDIFIYXAW-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.84
Rot. Bonds6

About methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride

methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride (PubChem CID 17332875) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
PubChem CID17332875
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Namemethyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1.Cl
InChIInChI=1S/C19H18N2O3.ClH/c1-23-19(22)16-4-2-15(3-5-16)18-7-6-17(24-18)13-21-12-14-8-10-20-11-9-14;/h2-11,21H,12-13H2,1H3;1H
InChIKeyJLWAZEDIFIYXAW-UHFFFAOYSA-N
XLogP3.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride with MolForge

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Related Compounds

dimethyl 5-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 4724929
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17332933
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoate;dihydrochloride
CID 17332913
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332089
methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
CID 4724267
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
CID 8636615
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride (CID 17332875) is methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride is COC(=O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1.Cl.
What is the InChIKey of methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride?
The InChIKey is JLWAZEDIFIYXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3.ClH/c1-23-19(22)16-4-2-15(3-5-16)18-7-6-17(24-18)13-21-12-14-8-10-20-11-9-14;/h2-11,21H,12-13H2,1H3;1H.
What are the key properties of methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride?
methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride is sourced from PubChem (CID 17332875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).