4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide

C25H24N6O3 — CID 123969609

IUPAC4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
SMILES[H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(C)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C25H24N6O3/c1-16-13-19(5-6-20(16)25(33)31-34-12-11-32)22-8-9-23(30-26)24(29-22)28-15-17-4-7-21-18(14-17)3-2-10-27-21/h2-10,13-14,26,32H,11-12,15H2,1H3,(H,28,29)(H,31,33)/b30-26+
InChIKeyUHLKLASJHWTZIS-URGPHPNLSA-N
MW456.51 g/mol
LogP4.53
Rot. Bonds9

About 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide

4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide (PubChem CID 123969609) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
PubChem CID123969609
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
SMILES[H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(C)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C25H24N6O3/c1-16-13-19(5-6-20(16)25(33)31-34-12-11-32)22-8-9-23(30-26)24(29-22)28-15-17-4-7-21-18(14-17)3-2-10-27-21/h2-10,13-14,26,32H,11-12,15H2,1H3,(H,28,29)(H,31,33)/b30-26+
InChIKeyUHLKLASJHWTZIS-URGPHPNLSA-N
XLogP4.53
TPSA132.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide
CID 155371997
4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123184936
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2,6-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 123958809
2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
CID 123299489
2-[[2-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoyl]amino]oxyethyl 2-methylpropanoate
CID 71767484
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
CID 163885686
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
CID 147859211
2-chloro-N-propoxy-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123460431
2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
CID 139321257
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091

Frequently Asked Questions

What is the IUPAC name of 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
The IUPAC name of 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide (CID 123969609) is 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide.
What is the SMILES notation for 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
The canonical SMILES for 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide is [H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(C)c2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
The InChIKey is UHLKLASJHWTZIS-URGPHPNLSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-16-13-19(5-6-20(16)25(33)31-34-12-11-32)22-8-9-23(30-26)24(29-22)28-15-17-4-7-21-18(14-17)3-2-10-27-21/h2-10,13-14,26,32H,11-12,15H2,1H3,(H,28,29)(H,31,33)/b30-26+.
What are the key properties of 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide has a molecular weight of 456.51 g/mol, XLogP of 4.53, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide is sourced from PubChem (CID 123969609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).