5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide

C22H24N4O3 — CID 100806317

IUPAC5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C\[C@H]2C[C@H]3C=C[C@@H]2C3)o1
InChIInChI=1S/C22H24N4O3/c27-21(25-23-11-17-9-13-1-3-15(17)7-13)19-5-6-20(29-19)22(28)26-24-12-18-10-14-2-4-16(18)8-14/h1-6,11-18H,7-10H2,(H,25,27)(H,26,28)/b23-11-,24-12-/t13-,14+,15-,16-,17+,18-/m1/s1
InChIKeyAFAUUXNDJLKADH-LAIMUXHXSA-N
MW392.46 g/mol
LogP3.14
Rot. Bonds6

About 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide

5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide (PubChem CID 100806317) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide
PubChem CID100806317
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C\[C@H]2C[C@H]3C=C[C@@H]2C3)o1
InChIInChI=1S/C22H24N4O3/c27-21(25-23-11-17-9-13-1-3-15(17)7-13)19-5-6-20(29-19)22(28)26-24-12-18-10-14-2-4-16(18)8-14/h1-6,11-18H,7-10H2,(H,25,27)(H,26,28)/b23-11-,24-12-/t13-,14+,15-,16-,17+,18-/m1/s1
InChIKeyAFAUUXNDJLKADH-LAIMUXHXSA-N
XLogP3.14
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-hydroxybenzamide
CID 40554147
N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide
CID 124764212
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chlorobenzamide
CID 22524953
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5454793
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
CID 590348
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 18555195
N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 100744187
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 98299806
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-(propanoylamino)benzamide
CID 129440279
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 7310058

Frequently Asked Questions

What is the IUPAC name of 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide (CID 100806317) is 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide is O=C(N/N=C\[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C\[C@H]2C[C@H]3C=C[C@@H]2C3)o1.
What is the InChIKey of 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide?
The InChIKey is AFAUUXNDJLKADH-LAIMUXHXSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-21(25-23-11-17-9-13-1-3-15(17)7-13)19-5-6-20(29-19)22(28)26-24-12-18-10-14-2-4-16(18)8-14/h1-6,11-18H,7-10H2,(H,25,27)(H,26,28)/b23-11-,24-12-/t13-,14+,15-,16-,17+,18-/m1/s1.
What are the key properties of 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide?
5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 100806317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).