4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide

C18H15N5O — CID 5232709

IUPAC4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
SMILESNc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C18H15N5O/c19-14-9-7-13(8-10-14)18(24)23-22-17(15-5-1-3-11-20-15)16-6-2-4-12-21-16/h1-12H,19H2,(H,23,24)
InChIKeyZEWYTGSJAMEGGJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide

4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide (PubChem CID 5232709) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
PubChem CID5232709
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
SMILESNc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C18H15N5O/c19-14-9-7-13(8-10-14)18(24)23-22-17(15-5-1-3-11-20-15)16-6-2-4-12-21-16/h1-12H,19H2,(H,23,24)
InChIKeyZEWYTGSJAMEGGJ-UHFFFAOYSA-N
XLogP2.24
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
CID 102349803
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
CID 11285903
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
2-hydroxy-2-phenyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 5220339
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide?
The IUPAC name of 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide (CID 5232709) is 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide?
The canonical SMILES for 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide is Nc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1.
What is the InChIKey of 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide?
The InChIKey is ZEWYTGSJAMEGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-14-9-7-13(8-10-14)18(24)23-22-17(15-5-1-3-11-20-15)16-6-2-4-12-21-16/h1-12H,19H2,(H,23,24).
What are the key properties of 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide?
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide has a molecular weight of 317.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 5232709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).