2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide

C17H21ClN4O2 — CID 144784027

IUPAC2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
SMILESCNc1cccc(C2CC2)c1COc1cnccc1Cl.NNC=O
InChIInChI=1S/C16H17ClN2O.CH4N2O/c1-18-15-4-2-3-12(11-5-6-11)13(15)10-20-16-9-19-8-7-14(16)17;2-3-1-4/h2-4,7-9,11,18H,5-6,10H2,1H3;1H,2H2,(H,3,4)
InChIKeyRUYLHMFBBQLLSW-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.84
Rot. Bonds6

About 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide

2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide (PubChem CID 144784027) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide.

Molecular Properties

Compound Name2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
PubChem CID144784027
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
SMILESCNc1cccc(C2CC2)c1COc1cnccc1Cl.NNC=O
InChIInChI=1S/C16H17ClN2O.CH4N2O/c1-18-15-4-2-3-12(11-5-6-11)13(15)10-20-16-9-19-8-7-14(16)17;2-3-1-4/h2-4,7-9,11,18H,5-6,10H2,1H3;1H,2H2,(H,3,4)
InChIKeyRUYLHMFBBQLLSW-UHFFFAOYSA-N
XLogP2.84
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.84
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

2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
CID 144784338
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
CID 144784328
6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide
CID 144783976
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784323
3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
CID 144773248
2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
CID 144772924
3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090
cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine
CID 144659539
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide?
The IUPAC name of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide (CID 144784027) is 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide.
What is the SMILES notation for 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide?
The canonical SMILES for 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide is CNc1cccc(C2CC2)c1COc1cnccc1Cl.NNC=O.
What is the InChIKey of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide?
The InChIKey is RUYLHMFBBQLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O.CH4N2O/c1-18-15-4-2-3-12(11-5-6-11)13(15)10-20-16-9-19-8-7-14(16)17;2-3-1-4/h2-4,7-9,11,18H,5-6,10H2,1H3;1H,2H2,(H,3,4).
What are the key properties of 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide?
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide has a molecular weight of 348.83 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide is sourced from PubChem (CID 144784027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).