1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol

C18H16N2O — CID 21239600

IUPAC1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol
SMILESCc1ccnc(N/C=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c1-13-8-10-19-18(12-13)20-11-9-16-15-5-3-2-4-14(15)6-7-17(16)21/h2-12,21H,1H3,(H,19,20)/b11-9+
InChIKeySEMOETYRZIKIFZ-PKNBQFBNSA-N
MW276.34 g/mol
LogP4.33
Rot. Bonds3

About 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol

1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol (PubChem CID 21239600) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol
PubChem CID21239600
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol
SMILESCc1ccnc(N/C=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c1-13-8-10-19-18(12-13)20-11-9-16-15-5-3-2-4-14(15)6-7-17(16)21/h2-12,21H,1H3,(H,19,20)/b11-9+
InChIKeySEMOETYRZIKIFZ-PKNBQFBNSA-N
XLogP4.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol (CID 21239600) is 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol is Cc1ccnc(N/C=C/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol?
The InChIKey is SEMOETYRZIKIFZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-8-10-19-18(12-13)20-11-9-16-15-5-3-2-4-14(15)6-7-17(16)21/h2-12,21H,1H3,(H,19,20)/b11-9+.
What are the key properties of 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol?
1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol has a molecular weight of 276.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[(4-methyl-2-pyridinyl)amino]ethenyl]naphthalen-2-ol is sourced from PubChem (CID 21239600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).