2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine

C24H26N6 — CID 15544455

IUPAC2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
SMILESc1ccc(CCNCc2ccc3ccc(CNCCc4ccccn4)nc3n2)nc1
InChIInChI=1S/C24H26N6/c1-3-13-27-20(5-1)11-15-25-17-22-9-7-19-8-10-23(30-24(19)29-22)18-26-16-12-21-6-2-4-14-28-21/h1-10,13-14,25-26H,11-12,15-18H2
InChIKeyAHTXKXKEDLYDGH-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.08
Rot. Bonds10

About 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine

2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine (PubChem CID 15544455) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
PubChem CID15544455
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
SMILESc1ccc(CCNCc2ccc3ccc(CNCCc4ccccn4)nc3n2)nc1
InChIInChI=1S/C24H26N6/c1-3-13-27-20(5-1)11-15-25-17-22-9-7-19-8-10-23(30-24(19)29-22)18-26-16-12-21-6-2-4-14-28-21/h1-10,13-14,25-26H,11-12,15-18H2
InChIKeyAHTXKXKEDLYDGH-UHFFFAOYSA-N
XLogP3.08
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.08
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'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
4-[(2-pyridin-2-ylethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103233886
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 28614976
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine?
The IUPAC name of 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine (CID 15544455) is 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine is c1ccc(CCNCc2ccc3ccc(CNCCc4ccccn4)nc3n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine?
The InChIKey is AHTXKXKEDLYDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-3-13-27-20(5-1)11-15-25-17-22-9-7-19-8-10-23(30-24(19)29-22)18-26-16-12-21-6-2-4-14-28-21/h1-10,13-14,25-26H,11-12,15-18H2.
What are the key properties of 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine?
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine has a molecular weight of 398.51 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine is sourced from PubChem (CID 15544455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).