N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide

C24H21N5O — CID 44570642

IUPACN-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C24H21N5O/c25-20-6-1-2-7-22(20)29-24(30)18-12-10-17(11-13-18)15-27-23-9-3-8-21(28-23)19-5-4-14-26-16-19/h1-14,16H,15,25H2,(H,27,28)(H,29,30)
InChIKeyUUOALBGVPMDUBS-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.59
Rot. Bonds6

About N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide (PubChem CID 44570642) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide
PubChem CID44570642
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C24H21N5O/c25-20-6-1-2-7-22(20)29-24(30)18-12-10-17(11-13-18)15-27-23-9-3-8-21(28-23)19-5-4-14-26-16-19/h1-14,16H,15,25H2,(H,27,28)(H,29,30)
InChIKeyUUOALBGVPMDUBS-UHFFFAOYSA-N
XLogP4.59
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide (CID 44570642) is N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNc2cccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide?
The InChIKey is UUOALBGVPMDUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c25-20-6-1-2-7-22(20)29-24(30)18-12-10-17(11-13-18)15-27-23-9-3-8-21(28-23)19-5-4-14-26-16-19/h1-14,16H,15,25H2,(H,27,28)(H,29,30).
What are the key properties of N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide has a molecular weight of 395.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(6-pyridin-3-yl-2-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 44570642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).