4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide

C25H31N5O2 — CID 67079175

IUPAC4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide
SMILESNc1ccc(COCCCCCNCc2ccc(C(=O)Nc3cccnc3N)cc2)cc1
InChIInChI=1S/C25H31N5O2/c26-22-12-8-20(9-13-22)18-32-16-3-1-2-14-28-17-19-6-10-21(11-7-19)25(31)30-23-5-4-15-29-24(23)27/h4-13,15,28H,1-3,14,16-18,26H2,(H2,27,29)(H,30,31)
InChIKeyQHBGZIGUVBYSHX-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.97
Rot. Bonds12

About 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide

4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide (PubChem CID 67079175) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide
PubChem CID67079175
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide
SMILESNc1ccc(COCCCCCNCc2ccc(C(=O)Nc3cccnc3N)cc2)cc1
InChIInChI=1S/C25H31N5O2/c26-22-12-8-20(9-13-22)18-32-16-3-1-2-14-28-17-19-6-10-21(11-7-19)25(31)30-23-5-4-15-29-24(23)27/h4-13,15,28H,1-3,14,16-18,26H2,(H2,27,29)(H,30,31)
InChIKeyQHBGZIGUVBYSHX-UHFFFAOYSA-N
XLogP3.97
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide
CID 67078858
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
N-(2-amino-3-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594967
N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
CID 44594255
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
CID 119763496
N-(2-amino-3-pyridinyl)-4-[[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]methyl]benzamide
CID 67078706
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide
CID 67078852
N-(2-amino-3-pyridinyl)-4-[[3-(4-nitrophenyl)prop-2-enoylamino]methyl]benzamide
CID 67078369
3-[[4-(octoxymethyl)phenyl]methylamino]propylphosphonic acid
CID 10287092
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide?
The IUPAC name of 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide (CID 67079175) is 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide?
The canonical SMILES for 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide is Nc1ccc(COCCCCCNCc2ccc(C(=O)Nc3cccnc3N)cc2)cc1.
What is the InChIKey of 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide?
The InChIKey is QHBGZIGUVBYSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c26-22-12-8-20(9-13-22)18-32-16-3-1-2-14-28-17-19-6-10-21(11-7-19)25(31)30-23-5-4-15-29-24(23)27/h4-13,15,28H,1-3,14,16-18,26H2,(H2,27,29)(H,30,31).
What are the key properties of 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide?
4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide has a molecular weight of 433.56 g/mol, XLogP of 3.97, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide is sourced from PubChem (CID 67079175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).