5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide

C18H17N2O4+ — CID 153370246

IUPAC5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc[nH+]c3)o2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-6-5-12(10-17(15)23-2)14-7-8-16(24-14)18(21)20-13-4-3-9-19-11-13/h3-11H,1-2H3,(H,20,21)/p+1
InChIKeyKXSRFYKJEOUWQW-UHFFFAOYSA-O
MW325.34 g/mol
LogP3.03
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide

5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide (PubChem CID 153370246) has the molecular formula C18H17N2O4+ and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide
PubChem CID153370246
Molecular FormulaC18H17N2O4+
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc[nH+]c3)o2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-6-5-12(10-17(15)23-2)14-7-8-16(24-14)18(21)20-13-4-3-9-19-11-13/h3-11H,1-2H3,(H,20,21)/p+1
InChIKeyKXSRFYKJEOUWQW-UHFFFAOYSA-O
XLogP3.03
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 23967867
5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide
CID 4072489
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616
N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 178082978
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide (CID 153370246) is 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ccc[nH+]c3)o2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
The InChIKey is KXSRFYKJEOUWQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16N2O4/c1-22-15-6-5-12(10-17(15)23-2)14-7-8-16(24-14)18(21)20-13-4-3-9-19-11-13/h3-11H,1-2H3,(H,20,21)/p+1.
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide is sourced from PubChem (CID 153370246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).