N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide

C19H17N3O2 — CID 92939420

IUPACN-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide
SMILESNc1cccc(NC(=O)c2ccc(Cn3ccc(=O)cc3)cc2)c1
InChIInChI=1S/C19H17N3O2/c20-16-2-1-3-17(12-16)21-19(24)15-6-4-14(5-7-15)13-22-10-8-18(23)9-11-22/h1-12H,13,20H2,(H,21,24)
InChIKeyJDXKPOBKBPUGMY-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.73
Rot. Bonds4

About N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide

N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide (PubChem CID 92939420) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide
PubChem CID92939420
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide
SMILESNc1cccc(NC(=O)c2ccc(Cn3ccc(=O)cc3)cc2)c1
InChIInChI=1S/C19H17N3O2/c20-16-2-1-3-17(12-16)21-19(24)15-6-4-14(5-7-15)13-22-10-8-18(23)9-11-22/h1-12H,13,20H2,(H,21,24)
InChIKeyJDXKPOBKBPUGMY-UHFFFAOYSA-N
XLogP2.73
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 119759695
N-(3-aminophenyl)pyrimidine-5-carboxamide
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N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
The IUPAC name of N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide (CID 92939420) is N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
The canonical SMILES for N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide is Nc1cccc(NC(=O)c2ccc(Cn3ccc(=O)cc3)cc2)c1.
What is the InChIKey of N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
The InChIKey is JDXKPOBKBPUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-16-2-1-3-17(12-16)21-19(24)15-6-4-14(5-7-15)13-22-10-8-18(23)9-11-22/h1-12H,13,20H2,(H,21,24).
What are the key properties of N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide is sourced from PubChem (CID 92939420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).