2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide

C15H15N3O — CID 50851065

IUPAC2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide
SMILESCC(C)=Nc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H15N3O/c1-11(2)17-14-8-4-3-7-13(14)15(19)18-12-6-5-9-16-10-12/h3-10H,1-2H3,(H,18,19)
InChIKeyZBHJMEGFRCYAMS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.45
Rot. Bonds3

About 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide

2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide (PubChem CID 50851065) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide
PubChem CID50851065
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide
SMILESCC(C)=Nc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H15N3O/c1-11(2)17-14-8-4-3-7-13(14)15(19)18-12-6-5-9-16-10-12/h3-10H,1-2H3,(H,18,19)
InChIKeyZBHJMEGFRCYAMS-UHFFFAOYSA-N
XLogP3.45
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen
CID 144555172
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
2-[(2-methoxyacetyl)amino]-N-pyridin-3-ylbenzamide
CID 30337604
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide (CID 50851065) is 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide is CC(C)=Nc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide?
The InChIKey is ZBHJMEGFRCYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(2)17-14-8-4-3-7-13(14)15(19)18-12-6-5-9-16-10-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide?
2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide has a molecular weight of 253.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 50851065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).