5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide

C19H19N2O4+ — CID 3660443

IUPAC5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCc2ccc[nH+]c2)o1
InChIInChI=1S/C19H18N2O4/c1-23-16-6-2-3-7-17(16)24-13-15-8-9-18(25-15)19(22)21-12-14-5-4-10-20-11-14/h2-11H,12-13H2,1H3,(H,21,22)/p+1
InChIKeyIJBWUTKRNXJJTF-UHFFFAOYSA-O
MW339.37 g/mol
LogP2.61
Rot. Bonds7

About 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide (PubChem CID 3660443) has the molecular formula C19H19N2O4+ and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
PubChem CID3660443
Molecular FormulaC19H19N2O4+
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCc2ccc[nH+]c2)o1
InChIInChI=1S/C19H18N2O4/c1-23-16-6-2-3-7-17(16)24-13-15-8-9-18(25-15)19(22)21-12-14-5-4-10-20-11-14/h2-11H,12-13H2,1H3,(H,21,22)/p+1
InChIKeyIJBWUTKRNXJJTF-UHFFFAOYSA-O
XLogP2.61
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660032
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
5-[(2-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041704
N-[2-(ethylamino)-2-oxoethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86997976
propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
CID 55788987
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
5-[(2-methoxyphenoxy)methyl]-N'-pyrimidin-2-ylfuran-2-carbohydrazide
CID 87015415
N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467608
methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781590
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide (CID 3660443) is 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)NCc2ccc[nH+]c2)o1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
The InChIKey is IJBWUTKRNXJJTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-6-2-3-7-17(16)24-13-15-8-9-18(25-15)19(22)21-12-14-5-4-10-20-11-14/h2-11H,12-13H2,1H3,(H,21,22)/p+1.
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3660443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).