6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol

C16H17N3O — CID 91284942

IUPAC6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol
SMILES[H]/N=C/C(/C=N/C)c1ccc(O)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H17N3O/c1-11-3-5-12(6-4-11)16-15(20)8-7-14(19-16)13(9-17)10-18-2/h3-10,13,17,20H,1-2H3/b17-9+,18-10+
InChIKeySUBFXCMPQLQWIY-BEQMOXJMSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds4

About 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol

6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol (PubChem CID 91284942) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol
PubChem CID91284942
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol
SMILES[H]/N=C/C(/C=N/C)c1ccc(O)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H17N3O/c1-11-3-5-12(6-4-11)16-15(20)8-7-14(19-16)13(9-17)10-18-2/h3-10,13,17,20H,1-2H3/b17-9+,18-10+
InChIKeySUBFXCMPQLQWIY-BEQMOXJMSA-N
XLogP3.20
TPSA69.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-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 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol?
The IUPAC name of 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol (CID 91284942) is 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol.
What is the SMILES notation for 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol?
The canonical SMILES for 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol is [H]/N=C/C(/C=N/C)c1ccc(O)c(-c2ccc(C)cc2)n1.
What is the InChIKey of 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol?
The InChIKey is SUBFXCMPQLQWIY-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-3-5-12(6-4-11)16-15(20)8-7-14(19-16)13(9-17)10-18-2/h3-10,13,17,20H,1-2H3/b17-9+,18-10+.
What are the key properties of 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol?
6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol is sourced from PubChem (CID 91284942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).