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

C23H20N6O — CID 11603622

IUPACN-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cncc(-c3cccnc3)n2)cc1
InChIInChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)12-27-22-15-26-14-21(28-22)18-4-3-11-25-13-18/h1-11,13-15H,12,24H2,(H,27,28)(H,29,30)
InChIKeyRZSPCZCEYFAKGF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.99
Rot. Bonds6

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

N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide (PubChem CID 11603622) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide
PubChem CID11603622
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cncc(-c3cccnc3)n2)cc1
InChIInChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)12-27-22-15-26-14-21(28-22)18-4-3-11-25-13-18/h1-11,13-15H,12,24H2,(H,27,28)(H,29,30)
InChIKeyRZSPCZCEYFAKGF-UHFFFAOYSA-N
XLogP3.99
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-ylpyrazin-2-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide (CID 11603622) is N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNc2cncc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide?
The InChIKey is RZSPCZCEYFAKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)12-27-22-15-26-14-21(28-22)18-4-3-11-25-13-18/h1-11,13-15H,12,24H2,(H,27,28)(H,29,30).
What are the key properties of N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(6-pyridin-3-ylpyrazin-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 11603622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).