N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

C24H31N5O — CID 101492526

IUPACN'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1
InChIInChI=1S/C24H31N5O/c1-30-24-10-8-21(9-11-24)20-29(16-14-25-18-22-6-2-4-12-27-22)17-15-26-19-23-7-3-5-13-28-23/h2-13,25-26H,14-20H2,1H3
InChIKeyUJZVJIPECLMVQB-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.87
Rot. Bonds13

About N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 101492526) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
PubChem CID101492526
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1
InChIInChI=1S/C24H31N5O/c1-30-24-10-8-21(9-11-24)20-29(16-14-25-18-22-6-2-4-12-27-22)17-15-26-19-23-7-3-5-13-28-23/h2-13,25-26H,14-20H2,1H3
InChIKeyUJZVJIPECLMVQB-UHFFFAOYSA-N
XLogP2.87
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 59751010
N'-[(4-chlorophenyl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102163295
N'-[[4-[[2-(4-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 59750989
N'-ethyl-N'-[[4-[[(5-methoxy-1H-indol-3-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 71125850
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
N'-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-[(2,3,5-trichlorophenyl)methyl]-N'-[2-[(2,3,5-trichlorophenyl)methylamino]ethyl]ethane-1,2-diamine
CID 59750954
(1S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-phenylpropane-1,3-diol
CID 59750951
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
N'-[[4-[[(6-methyl-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-4-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11577553
2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-2-(3-chlorophenyl)ethanol
CID 69176425

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (CID 101492526) is N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is COc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is UJZVJIPECLMVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-30-24-10-8-21(9-11-24)20-29(16-14-25-18-22-6-2-4-12-27-22)17-15-26-19-23-7-3-5-13-28-23/h2-13,25-26H,14-20H2,1H3.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 405.55 g/mol, XLogP of 2.87, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 101492526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).