1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide

C23H23N3O4 — CID 26397434

IUPAC1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCc2ccc(C)o2)c1=O
InChIInChI=1S/C23H23N3O4/c1-3-11-24-22(28)19-14-26(13-17-7-5-4-6-8-17)15-20(21(19)27)23(29)25-12-18-10-9-16(2)30-18/h3-10,14-15H,1,11-13H2,2H3,(H,24,28)(H,25,29)
InChIKeyDBDNQJIAYSDHHT-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.64
Rot. Bonds8

About 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide

1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 26397434) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID26397434
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCc2ccc(C)o2)c1=O
InChIInChI=1S/C23H23N3O4/c1-3-11-24-22(28)19-14-26(13-17-7-5-4-6-8-17)15-20(21(19)27)23(29)25-12-18-10-9-16(2)30-18/h3-10,14-15H,1,11-13H2,2H3,(H,24,28)(H,25,29)
InChIKeyDBDNQJIAYSDHHT-UHFFFAOYSA-N
XLogP2.64
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 42500950
5-N-[2-(2-methoxyphenyl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26348562
3-N-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 56858912
1-benzyl-3-N-(2,3-dihydro-1H-inden-2-yl)-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 42471213
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 42372843
5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26358351
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 42483288
1-benzyl-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 26318211
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53135627
3-N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-3-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26278405
3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 118758455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 26397434) is 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCc2ccc(C)o2)c1=O.
What is the InChIKey of 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is DBDNQJIAYSDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-11-24-22(28)19-14-26(13-17-7-5-4-6-8-17)15-20(21(19)27)23(29)25-12-18-10-9-16(2)30-18/h3-10,14-15H,1,11-13H2,2H3,(H,24,28)(H,25,29).
What are the key properties of 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 26397434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).