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

C24H25N3O5 — CID 42500950

IUPAC3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)NCc2ccc(OC)cc2)c1=O
InChIInChI=1S/C24H25N3O5/c1-4-11-25-23(29)20-14-27(13-19-8-5-16(2)32-19)15-21(22(20)28)24(30)26-12-17-6-9-18(31-3)10-7-17/h4-10,14-15H,1,11-13H2,2-3H3,(H,25,29)(H,26,30)
InChIKeyVRXCSVXZOKAULK-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.65
Rot. Bonds9

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

3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 42500950) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID42500950
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)NCc2ccc(OC)cc2)c1=O
InChIInChI=1S/C24H25N3O5/c1-4-11-25-23(29)20-14-27(13-19-8-5-16(2)32-19)15-21(22(20)28)24(30)26-12-17-6-9-18(31-3)10-7-17/h4-10,14-15H,1,11-13H2,2-3H3,(H,25,29)(H,26,30)
InChIKeyVRXCSVXZOKAULK-UHFFFAOYSA-N
XLogP2.65
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26397434
5-N-[2-(2-methoxyphenyl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26348562
5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26358351
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 42372843
1-[2-(4-methoxyphenyl)ethyl]-3-N-[(5-methylfuran-2-yl)methyl]-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 118757350
1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide
CID 59343609
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
3-N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-3-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26278405
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 42500950) is 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)NCc2ccc(OC)cc2)c1=O.
What is the InChIKey of 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is VRXCSVXZOKAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-4-11-25-23(29)20-14-27(13-19-8-5-16(2)32-19)15-21(22(20)28)24(30)26-12-17-6-9-18(31-3)10-7-17/h4-10,14-15H,1,11-13H2,2-3H3,(H,25,29)(H,26,30).
What are the key properties of 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 42500950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).