N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine

C23H28N4 — CID 166382610

IUPACN'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCc1cnccc1C(C)NCCN(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H28N4/c1-3-21-17-24-14-12-22(21)19(2)25-15-16-27(23-11-7-8-13-26-23)18-20-9-5-4-6-10-20/h4-14,17,19,25H,3,15-16,18H2,1-2H3
InChIKeyNWOIWMGDEZBACS-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.40
Rot. Bonds9

About N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine

N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 166382610) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID166382610
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC NameN'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCc1cnccc1C(C)NCCN(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H28N4/c1-3-21-17-24-14-12-22(21)19(2)25-15-16-27(23-11-7-8-13-26-23)18-20-9-5-4-6-10-20/h4-14,17,19,25H,3,15-16,18H2,1-2H3
InChIKeyNWOIWMGDEZBACS-UHFFFAOYSA-N
XLogP4.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide
CID 167810244
3-(aminomethyl)-N-benzyl-N-ethylpyridin-4-amine
CID 81248963
N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 166382623
N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine
CID 104736901
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide
CID 4112248
3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine
CID 19783340
[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 81237660
N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride
CID 162641472
N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine
CID 91337811
3-ethyl-4-(6-phenylhexan-3-yl)pyridine
CID 14883833
3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine
CID 19783351

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine (CID 166382610) is N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine is CCc1cnccc1C(C)NCCN(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is NWOIWMGDEZBACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-3-21-17-24-14-12-22(21)19(2)25-15-16-27(23-11-7-8-13-26-23)18-20-9-5-4-6-10-20/h4-14,17,19,25H,3,15-16,18H2,1-2H3.
What are the key properties of N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine?
N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 360.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 166382610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).