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

C22H19N3O2 — CID 2315407

IUPAC4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)cc1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-12-10-16(11-13-18)22(26)24-21-19-8-4-3-7-17(19)15-25-14-6-5-9-20(25)23-21/h3-14H,2,15H2,1H3/b24-21-
InChIKeyDNZSBCLWYMKGFQ-FLFQWRMESA-N
MW357.41 g/mol
LogP3.97
Rot. Bonds3

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

4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (PubChem CID 2315407) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
PubChem CID2315407
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)cc1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-12-10-16(11-13-18)22(26)24-21-19-8-4-3-7-17(19)15-25-14-6-5-9-20(25)23-21/h3-14H,2,15H2,1H3/b24-21-
InChIKeyDNZSBCLWYMKGFQ-FLFQWRMESA-N
XLogP3.97
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The IUPAC name of 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide (CID 2315407) is 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide.
What is the SMILES notation for 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The canonical SMILES for 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is CCOc1ccc(C(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)cc1.
What is the InChIKey of 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
The InChIKey is DNZSBCLWYMKGFQ-FLFQWRMESA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-27-18-12-10-16(11-13-18)22(26)24-21-19-8-4-3-7-17(19)15-25-14-6-5-9-20(25)23-21/h3-14H,2,15H2,1H3/b24-21-.
What are the key properties of 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide?
4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide is sourced from PubChem (CID 2315407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).