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

C19H14N4O — CID 2335491

IUPACN-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide
SMILESO=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccncc1
InChIInChI=1S/C19H14N4O/c24-19(14-8-10-20-11-9-14)22-18-16-6-2-1-5-15(16)13-23-12-4-3-7-17(23)21-18/h1-12H,13H2/b22-18-
InChIKeyZYIQUIJPDXRGRI-PYCFMQQDSA-N
MW314.35 g/mol
LogP2.97
Rot. Bonds1

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

N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide (PubChem CID 2335491) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide
PubChem CID2335491
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC NameN-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide
SMILESO=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccncc1
InChIInChI=1S/C19H14N4O/c24-19(14-8-10-20-11-9-14)22-18-16-6-2-1-5-15(16)13-23-12-4-3-7-17(23)21-18/h1-12H,13H2/b22-18-
InChIKeyZYIQUIJPDXRGRI-PYCFMQQDSA-N
XLogP2.97
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.97
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 N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide?
The IUPAC name of N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide (CID 2335491) is N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide.
What is the SMILES notation for N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide?
The canonical SMILES for N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide is O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccncc1.
What is the InChIKey of N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide?
The InChIKey is ZYIQUIJPDXRGRI-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(14-8-10-20-11-9-14)22-18-16-6-2-1-5-15(16)13-23-12-4-3-7-17(23)21-18/h1-12H,13H2/b22-18-.
What are the key properties of N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide?
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide is sourced from PubChem (CID 2335491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).