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

C20H20N4O2 — CID 22478706

IUPACN-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide
SMILESCOc1cccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C20H20N4O2/c1-26-19-8-4-7-18(24-19)22-13-14-9-11-15(12-10-14)20(25)23-17-6-3-2-5-16(17)21/h2-12H,13,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyDRTPSQJDXDUDEU-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.54
Rot. Bonds6

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

N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide (PubChem CID 22478706) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide
PubChem CID22478706
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide
SMILESCOc1cccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C20H20N4O2/c1-26-19-8-4-7-18(24-19)22-13-14-9-11-15(12-10-14)20(25)23-17-6-3-2-5-16(17)21/h2-12H,13,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyDRTPSQJDXDUDEU-UHFFFAOYSA-N
XLogP3.54
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.54
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-methoxy-2-pyridinyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide (CID 22478706) is N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide is COc1cccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide?
The InChIKey is DRTPSQJDXDUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-19-8-4-7-18(24-19)22-13-14-9-11-15(12-10-14)20(25)23-17-6-3-2-5-16(17)21/h2-12H,13,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.54, 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-methoxy-2-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 22478706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).