3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide

C24H29N3O4 — CID 26352660

IUPAC3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O
InChIInChI=1S/C24H29N3O4/c1-2-3-8-25-23(29)20-14-27(13-19-5-4-9-31-19)15-21(22(20)28)24(30)26-12-18-11-16-6-7-17(18)10-16/h4-7,9,14-18H,2-3,8,10-13H2,1H3,(H,25,29)(H,26,30)/t16-,17+,18-/m1/s1
InChIKeyZDNVIBXFYQBCAI-FGTMMUONSA-N
MW423.51 g/mol
LogP2.96
Rot. Bonds9

About 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide

3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26352660) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID26352660
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O
InChIInChI=1S/C24H29N3O4/c1-2-3-8-25-23(29)20-14-27(13-19-5-4-9-31-19)15-21(22(20)28)24(30)26-12-18-11-16-6-7-17(18)10-16/h4-7,9,14-18H,2-3,8,10-13H2,1H3,(H,25,29)(H,26,30)/t16-,17+,18-/m1/s1
InChIKeyZDNVIBXFYQBCAI-FGTMMUONSA-N
XLogP2.96
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide (CID 26352660) is 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide is CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O.
What is the InChIKey of 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is ZDNVIBXFYQBCAI-FGTMMUONSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-2-3-8-25-23(29)20-14-27(13-19-5-4-9-31-19)15-21(22(20)28)24(30)26-12-18-11-16-6-7-17(18)10-16/h4-7,9,14-18H,2-3,8,10-13H2,1H3,(H,25,29)(H,26,30)/t16-,17+,18-/m1/s1.
What are the key properties of 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?
3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26352660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).