N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide

C25H22N4O — CID 25157972

IUPACN-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30)
InChIKeyVYPKHOXNUAQROR-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.20
Rot. Bonds6

About N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 25157972) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID25157972
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30)
InChIKeyVYPKHOXNUAQROR-UHFFFAOYSA-N
XLogP5.20
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.20
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 N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 25157972) is N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNc2ccncc2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is VYPKHOXNUAQROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 25157972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).