4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide

C24H23N3O2 — CID 2307675

IUPAC4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESCCCCOc1ccc(C(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2/c1-2-3-16-29-20-13-11-18(12-14-20)24(28)26-23-21-9-5-4-8-19(21)17-27-15-7-6-10-22(27)25-23/h4-15H,2-3,16-17H2,1H3/b26-23-
InChIKeyMJSCUBXUVDTSSF-RWEWTDSWSA-N
MW385.47 g/mol
LogP4.75
Rot. Bonds5

About 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide

4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (PubChem CID 2307675) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
PubChem CID2307675
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESCCCCOc1ccc(C(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2/c1-2-3-16-29-20-13-11-18(12-14-20)24(28)26-23-21-9-5-4-8-19(21)17-27-15-7-6-10-22(27)25-23/h4-15H,2-3,16-17H2,1H3/b26-23-
InChIKeyMJSCUBXUVDTSSF-RWEWTDSWSA-N
XLogP4.75
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The IUPAC name of 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (CID 2307675) is 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.
What is the SMILES notation for 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The canonical SMILES for 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is CCCCOc1ccc(C(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)cc1.
What is the InChIKey of 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The InChIKey is MJSCUBXUVDTSSF-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-3-16-29-20-13-11-18(12-14-20)24(28)26-23-21-9-5-4-8-19(21)17-27-15-7-6-10-22(27)25-23/h4-15H,2-3,16-17H2,1H3/b26-23-.
What are the key properties of 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is sourced from PubChem (CID 2307675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).