2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide

C22H25ClN4O2 — CID 144772924

IUPAC2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
SMILESCNc1cccc(C)c1COc1ccc(-c2ccc(Cl)cn2)cc1C.NNC=O
InChIInChI=1S/C21H21ClN2O.CH4N2O/c1-14-5-4-6-20(23-3)18(14)13-25-21-10-7-16(11-15(21)2)19-9-8-17(22)12-24-19;2-3-1-4/h4-12,23H,13H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyIHSYEDOVNXBLFZ-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.25
Rot. Bonds6

About 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide

2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide (PubChem CID 144772924) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
PubChem CID144772924
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
SMILESCNc1cccc(C)c1COc1ccc(-c2ccc(Cl)cn2)cc1C.NNC=O
InChIInChI=1S/C21H21ClN2O.CH4N2O/c1-14-5-4-6-20(23-3)18(14)13-25-21-10-7-16(11-15(21)2)19-9-8-17(22)12-24-19;2-3-1-4/h4-12,23H,13H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyIHSYEDOVNXBLFZ-UHFFFAOYSA-N
XLogP4.25
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.25
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'}

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Related Compounds

formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
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
N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline
CID 144597796
N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline
CID 144799577
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
CID 144784027
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982
N,3-dimethyl-2-[(2-methyl-4-pentan-2-ylphenoxy)methyl]aniline
CID 144784724
[3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenyl]-phenylmethanone
CID 144659514
3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide?
The IUPAC name of 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide (CID 144772924) is 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide.
What is the SMILES notation for 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide?
The canonical SMILES for 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide is CNc1cccc(C)c1COc1ccc(-c2ccc(Cl)cn2)cc1C.NNC=O.
What is the InChIKey of 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide?
The InChIKey is IHSYEDOVNXBLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O.CH4N2O/c1-14-5-4-6-20(23-3)18(14)13-25-21-10-7-16(11-15(21)2)19-9-8-17(22)12-24-19;2-3-1-4/h4-12,23H,13H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide?
2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide has a molecular weight of 412.92 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide is sourced from PubChem (CID 144772924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).