N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide

C19H17FN4O — CID 20786113

IUPACN-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cccc(F)n2)cc1
InChIInChI=1S/C19H17FN4O/c20-17-6-3-7-18(24-17)22-12-13-8-10-14(11-9-13)19(25)23-16-5-2-1-4-15(16)21/h1-11H,12,21H2,(H,22,24)(H,23,25)
InChIKeyWGZXNMYTKWFBCR-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.67
Rot. Bonds5

About N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide (PubChem CID 20786113) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide
PubChem CID20786113
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cccc(F)n2)cc1
InChIInChI=1S/C19H17FN4O/c20-17-6-3-7-18(24-17)22-12-13-8-10-14(11-9-13)19(25)23-16-5-2-1-4-15(16)21/h1-11H,12,21H2,(H,22,24)(H,23,25)
InChIKeyWGZXNMYTKWFBCR-UHFFFAOYSA-N
XLogP3.67
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide (CID 20786113) is N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNc2cccc(F)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide?
The InChIKey is WGZXNMYTKWFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-17-6-3-7-18(24-17)22-12-13-8-10-14(11-9-13)19(25)23-16-5-2-1-4-15(16)21/h1-11H,12,21H2,(H,22,24)(H,23,25).
What are the key properties of N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 20786113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).