3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide

C18H27ClN4O2 — CID 144784090

IUPAC3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
SMILESCC.CNc1cccc(Cl)c1COc1nc(C)ccc1C.NNC=O
InChIInChI=1S/C15H17ClN2O.C2H6.CH4N2O/c1-10-7-8-11(2)18-15(10)19-9-12-13(16)5-4-6-14(12)17-3;1-2;2-3-1-4/h4-8,17H,9H2,1-3H3;1-2H3;1H,2H2,(H,3,4)
InChIKeyILYDGVCJYUOPRX-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.60
Rot. Bonds5

About 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide

3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide (PubChem CID 144784090) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide.

Molecular Properties

Compound Name3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
PubChem CID144784090
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
SMILESCC.CNc1cccc(Cl)c1COc1nc(C)ccc1C.NNC=O
InChIInChI=1S/C15H17ClN2O.C2H6.CH4N2O/c1-10-7-8-11(2)18-15(10)19-9-12-13(16)5-4-6-14(12)17-3;1-2;2-3-1-4/h4-8,17H,9H2,1-3H3;1-2H3;1H,2H2,(H,3,4)
InChIKeyILYDGVCJYUOPRX-UHFFFAOYSA-N
XLogP3.60
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide 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

3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037
2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784393
2-[(6-ethyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784105
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532
3-chloro-2-[[4-[(Z)-2-ethylsulfanyl-1-(methylideneamino)prop-1-enyl]-2-methylphenoxy]methyl]-N-methylaniline;formohydrazide
CID 144799641
2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
CID 144772924
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
CID 144784027

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide?
The IUPAC name of 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide (CID 144784090) is 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide.
What is the SMILES notation for 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide?
The canonical SMILES for 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide is CC.CNc1cccc(Cl)c1COc1nc(C)ccc1C.NNC=O.
What is the InChIKey of 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide?
The InChIKey is ILYDGVCJYUOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O.C2H6.CH4N2O/c1-10-7-8-11(2)18-15(10)19-9-12-13(16)5-4-6-14(12)17-3;1-2;2-3-1-4/h4-8,17H,9H2,1-3H3;1-2H3;1H,2H2,(H,3,4).
What are the key properties of 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide?
3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide has a molecular weight of 366.89 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide is sourced from PubChem (CID 144784090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).