4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide

C20H18N4O2 — CID 118987449

IUPAC4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1
InChIInChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)
InChIKeyBBHURYMVPMFILR-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.54
Rot. Bonds4

About 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide

4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide (PubChem CID 118987449) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide
PubChem CID118987449
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1
InChIInChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)
InChIKeyBBHURYMVPMFILR-UHFFFAOYSA-N
XLogP3.54
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide?
The IUPAC name of 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide (CID 118987449) is 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1.
What is the InChIKey of 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide?
The InChIKey is BBHURYMVPMFILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide?
4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-amino-5-pyridin-4-ylphenyl)benzamide is sourced from PubChem (CID 118987449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).