3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide

C21H16I2N4O — CID 4681398

IUPAC3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESO=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)NN=Cc1ccccn1
InChIInChI=1S/C21H16I2N4O/c22-14-4-6-19-17(11-14)18-12-15(23)5-7-20(18)27(19)10-8-21(28)26-25-13-16-3-1-2-9-24-16/h1-7,9,11-13H,8,10H2,(H,26,28)
InChIKeyAWFWAIFZVBFOBB-UHFFFAOYSA-N
MW594.19 g/mol
LogP4.94
Rot. Bonds5

About 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide

3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide (PubChem CID 4681398) has the molecular formula C21H16I2N4O and a molecular weight of 594.19 g/mol. Its IUPAC name is 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
PubChem CID4681398
Molecular FormulaC21H16I2N4O
Molecular Weight594.19 g/mol
Exact Mass593.94
IUPAC Name3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESO=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)NN=Cc1ccccn1
InChIInChI=1S/C21H16I2N4O/c22-14-4-6-19-17(11-14)18-12-15(23)5-7-20(18)27(19)10-8-21(28)26-25-13-16-3-1-2-9-24-16/h1-7,9,11-13H,8,10H2,(H,26,28)
InChIKeyAWFWAIFZVBFOBB-UHFFFAOYSA-N
XLogP4.94
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.19
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide
CID 6084127
3-(3,6-diiodocarbazol-9-yl)-N-[(4-fluorophenyl)methylideneamino]propanamide
CID 3618962
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
CID 6256527
3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135554404
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 5144752
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
CID 6382683
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
N-[(Z)-2-(4-butoxyphenyl)ethylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
CID 6381347
2-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5342159
3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 123310795
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
The IUPAC name of 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide (CID 4681398) is 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
The canonical SMILES for 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide is O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)NN=Cc1ccccn1.
What is the InChIKey of 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
The InChIKey is AWFWAIFZVBFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16I2N4O/c22-14-4-6-19-17(11-14)18-12-15(23)5-7-20(18)27(19)10-8-21(28)26-25-13-16-3-1-2-9-24-16/h1-7,9,11-13H,8,10H2,(H,26,28).
What are the key properties of 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide has a molecular weight of 594.19 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 4681398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).