4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde

C24H20N4O — CID 160649818

IUPAC4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde
SMILESCc1cccc(-c2ccc(/N=N/c3cc(C=O)c4ccccc4c3N)cn2)c1C
InChIInChI=1S/C24H20N4O/c1-15-6-5-9-19(16(15)2)22-11-10-18(13-26-22)27-28-23-12-17(14-29)20-7-3-4-8-21(20)24(23)25/h3-14H,25H2,1-2H3/b28-27+
InChIKeyRKGRIRHWJWALQT-BYYHNAKLSA-N
MW380.45 g/mol
LogP6.33
Rot. Bonds4

About 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde

4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde (PubChem CID 160649818) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde
PubChem CID160649818
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde
SMILESCc1cccc(-c2ccc(/N=N/c3cc(C=O)c4ccccc4c3N)cn2)c1C
InChIInChI=1S/C24H20N4O/c1-15-6-5-9-19(16(15)2)22-11-10-18(13-26-22)27-28-23-12-17(14-29)20-7-3-4-8-21(20)24(23)25/h3-14H,25H2,1-2H3/b28-27+
InChIKeyRKGRIRHWJWALQT-BYYHNAKLSA-N
XLogP6.33
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde?
The IUPAC name of 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde (CID 160649818) is 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde is Cc1cccc(-c2ccc(/N=N/c3cc(C=O)c4ccccc4c3N)cn2)c1C.
What is the InChIKey of 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde?
The InChIKey is RKGRIRHWJWALQT-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-6-5-9-19(16(15)2)22-11-10-18(13-26-22)27-28-23-12-17(14-29)20-7-3-4-8-21(20)24(23)25/h3-14H,25H2,1-2H3/b28-27+.
What are the key properties of 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde?
4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde has a molecular weight of 380.45 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[6-(2,3-dimethylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 160649818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).