6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide

C18H21N5O2 — CID 144783976

IUPAC6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide
SMILESCNc1cccc(C2CC2)c1COc1cccc(C#N)n1.NNC=O
InChIInChI=1S/C17H17N3O.CH4N2O/c1-19-16-6-3-5-14(12-8-9-12)15(16)11-21-17-7-2-4-13(10-18)20-17;2-3-1-4/h2-7,12,19H,8-9,11H2,1H3;1H,2H2,(H,3,4)
InChIKeyPLWLOZVBRRJMOZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds6

About 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide

6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide (PubChem CID 144783976) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide.

Molecular Properties

Compound Name6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide
PubChem CID144783976
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide
SMILESCNc1cccc(C2CC2)c1COc1cccc(C#N)n1.NNC=O
InChIInChI=1S/C17H17N3O.CH4N2O/c1-19-16-6-3-5-14(12-8-9-12)15(16)11-21-17-7-2-4-13(10-18)20-17;2-3-1-4/h2-7,12,19H,8-9,11H2,1H3;1H,2H2,(H,3,4)
InChIKeyPLWLOZVBRRJMOZ-UHFFFAOYSA-N
XLogP2.06
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide 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-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide?
The IUPAC name of 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide (CID 144783976) is 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide.
What is the SMILES notation for 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide?
The canonical SMILES for 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide is CNc1cccc(C2CC2)c1COc1cccc(C#N)n1.NNC=O.
What is the InChIKey of 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide?
The InChIKey is PLWLOZVBRRJMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.CH4N2O/c1-19-16-6-3-5-14(12-8-9-12)15(16)11-21-17-7-2-4-13(10-18)20-17;2-3-1-4/h2-7,12,19H,8-9,11H2,1H3;1H,2H2,(H,3,4).
What are the key properties of 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide?
6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide has a molecular weight of 339.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide is sourced from PubChem (CID 144783976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).