5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C19H18N2O4 — CID 42845914

IUPAC5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCc3ccco3)c2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-17-6-5-13(9-18(17)24-2)14-8-15(11-20-10-14)19(22)21-12-16-4-3-7-25-16/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJEIYKRHLPUUUCO-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.29
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42845914) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID42845914
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCc3ccco3)c2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-17-6-5-13(9-18(17)24-2)14-8-15(11-20-10-14)19(22)21-12-16-4-3-7-25-16/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJEIYKRHLPUUUCO-UHFFFAOYSA-N
XLogP3.29
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 46114981
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2002814
5-(dipropylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231347
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 42845914) is 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is COc1ccc(-c2cncc(C(=O)NCc3ccco3)c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is JEIYKRHLPUUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-17-6-5-13(9-18(17)24-2)14-8-15(11-20-10-14)19(22)21-12-16-4-3-7-25-16/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42845914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).