1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol

C21H22N4O2 — CID 171384687

IUPAC1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol
SMILESCN1CCCCC1c1ccc(/N=N/c2c(O)ccc3ccc(O)cc23)nc1
InChIInChI=1S/C21H22N4O2/c1-25-11-3-2-4-18(25)15-7-10-20(22-13-15)23-24-21-17-12-16(26)8-5-14(17)6-9-19(21)27/h5-10,12-13,18,26-27H,2-4,11H2,1H3/b24-23+
InChIKeyPHPZXKMLZVNFDB-WCWDXBQESA-N
MW362.43 g/mol
LogP5.22
Rot. Bonds3

About 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol

1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol (PubChem CID 171384687) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol
PubChem CID171384687
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol
SMILESCN1CCCCC1c1ccc(/N=N/c2c(O)ccc3ccc(O)cc23)nc1
InChIInChI=1S/C21H22N4O2/c1-25-11-3-2-4-18(25)15-7-10-20(22-13-15)23-24-21-17-12-16(26)8-5-14(17)6-9-19(21)27/h5-10,12-13,18,26-27H,2-4,11H2,1H3/b24-23+
InChIKeyPHPZXKMLZVNFDB-WCWDXBQESA-N
XLogP5.22
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Pyridylazo)-1-naphthol
CID 2831996
1-(2-Pyridylazo)-2-naphthol
CID 6825
5-{[4-(Pyridin-2-yl)piperazin-1-yl]methyl}quinolin-8-ol
CID 1090306
Diarylurea deriv. 14
CID 5330595
4-(2-Pyridylazo)naphthol
CID 151462
Copper PAN
CID 135884961
2-[(E)-[(2-Hydroxynaphthalen-1-YL)methylidene]amino]pyridin-3-OL
CID 761412
2-[(2-Hydroxy-naphthalen-1-ylmethylene)-amino]-pyridin-3-ol
CID 135458896
4-(2-Pyridylazo)-2-naphthol
CID 12087143
6-(Dipyridin-2-ylamino)naphthalen-2-ol
CID 58121657
2-(2-Pyridylazo)-4nonylphenol
CID 136458263
1-(2-Pyridylazo)-2,7-dihydroxynaphthalene
CID 136461959

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol?
The IUPAC name of 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol (CID 171384687) is 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol.
What is the SMILES notation for 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol?
The canonical SMILES for 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol is CN1CCCCC1c1ccc(/N=N/c2c(O)ccc3ccc(O)cc23)nc1.
What is the InChIKey of 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol?
The InChIKey is PHPZXKMLZVNFDB-WCWDXBQESA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25-11-3-2-4-18(25)15-7-10-20(22-13-15)23-24-21-17-12-16(26)8-5-14(17)6-9-19(21)27/h5-10,12-13,18,26-27H,2-4,11H2,1H3/b24-23+.
What are the key properties of 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol?
1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol has a molecular weight of 362.43 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-methylpiperidin-2-yl)-2-pyridinyl]diazenyl]naphthalene-2,7-diol is sourced from PubChem (CID 171384687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).