N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C19H15N3O — CID 2351493

IUPACN-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C19H15N3O/c23-19(16-11-5-2-6-12-16)22-21-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-14H,(H,22,23)
InChIKeyHXNWDPAZQILIRT-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.26
Rot. Bonds4

About N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 2351493) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID2351493
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C19H15N3O/c23-19(16-11-5-2-6-12-16)22-21-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-14H,(H,22,23)
InChIKeyHXNWDPAZQILIRT-UHFFFAOYSA-N
XLogP3.26
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 2351493) is N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is O=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is HXNWDPAZQILIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-19(16-11-5-2-6-12-16)22-21-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-14H,(H,22,23).
What are the key properties of N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 301.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 2351493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).