N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine

C24H22N4O — CID 102213995

IUPACN-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine
SMILESCCOC(Nc1ccc2ccccc2c1/N=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C24H22N4O/c1-2-29-24(22-14-8-9-17-25-22)26-21-16-15-18-10-6-7-13-20(18)23(21)28-27-19-11-4-3-5-12-19/h3-17,24,26H,2H2,1H3/b28-27+
InChIKeySZMCCUWZLQOPHZ-BYYHNAKLSA-N
MW382.47 g/mol
LogP6.80
Rot. Bonds7

About N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine

N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine (PubChem CID 102213995) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine
PubChem CID102213995
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine
SMILESCCOC(Nc1ccc2ccccc2c1/N=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C24H22N4O/c1-2-29-24(22-14-8-9-17-25-22)26-21-16-15-18-10-6-7-13-20(18)23(21)28-27-19-11-4-3-5-12-19/h3-17,24,26H,2H2,1H3/b28-27+
InChIKeySZMCCUWZLQOPHZ-BYYHNAKLSA-N
XLogP6.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine?
The IUPAC name of N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine (CID 102213995) is N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine.
What is the SMILES notation for N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine?
The canonical SMILES for N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine is CCOC(Nc1ccc2ccccc2c1/N=N/c1ccccc1)c1ccccn1.
What is the InChIKey of N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine?
The InChIKey is SZMCCUWZLQOPHZ-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-29-24(22-14-8-9-17-25-22)26-21-16-15-18-10-6-7-13-20(18)23(21)28-27-19-11-4-3-5-12-19/h3-17,24,26H,2H2,1H3/b28-27+.
What are the key properties of N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine?
N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine has a molecular weight of 382.47 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine is sourced from PubChem (CID 102213995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).