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

C20H20N4O2 — CID 10450420

IUPACN-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1
InChIInChI=1S/C20H20N4O2/c1-26-19-11-10-16(13-23-19)22-12-14-6-8-15(9-7-14)20(25)24-18-5-3-2-4-17(18)21/h2-11,13,22H,12,21H2,1H3,(H,24,25)
InChIKeyHYTVQRGWHWAIPX-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.54
Rot. Bonds6

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

N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide (PubChem CID 10450420) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
PubChem CID10450420
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1
InChIInChI=1S/C20H20N4O2/c1-26-19-11-10-16(13-23-19)22-12-14-6-8-15(9-7-14)20(25)24-18-5-3-2-4-17(18)21/h2-11,13,22H,12,21H2,1H3,(H,24,25)
InChIKeyHYTVQRGWHWAIPX-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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Related Compounds

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2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
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N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
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CID 2800173

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide (CID 10450420) is N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide is COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
The InChIKey is HYTVQRGWHWAIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-19-11-10-16(13-23-19)22-12-14-6-8-15(9-7-14)20(25)24-18-5-3-2-4-17(18)21/h2-11,13,22H,12,21H2,1H3,(H,24,25).
What are the key properties of N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(6-methoxy-3-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-3-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 10450420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).