5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide

C20H19N3O3 — CID 109104838

IUPAC5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H19N3O3/c1-23(14-15-6-3-2-4-7-15)20(25)17-10-16(11-21-12-17)19(24)22-13-18-8-5-9-26-18/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyHRTDVLXQZLCNKL-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.88
Rot. Bonds6

About 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide

5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide (PubChem CID 109104838) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
PubChem CID109104838
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H19N3O3/c1-23(14-15-6-3-2-4-7-15)20(25)17-10-16(11-21-12-17)19(24)22-13-18-8-5-9-26-18/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyHRTDVLXQZLCNKL-UHFFFAOYSA-N
XLogP2.88
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109097082
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880
5-(N-ethylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231367
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50795472
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
3-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110950668
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834776
5-(dipropylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231347
5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105456
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide (CID 109104838) is 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide?
The InChIKey is HRTDVLXQZLCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23(14-15-6-3-2-4-7-15)20(25)17-10-16(11-21-12-17)19(24)22-13-18-8-5-9-26-18/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide?
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).