3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide

C15H19BrN4O2 — CID 144783818

IUPAC3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide
SMILESCNc1cccc(Br)c1COc1cccnc1C.NNC=O
InChIInChI=1S/C14H15BrN2O.CH4N2O/c1-10-14(7-4-8-17-10)18-9-11-12(15)5-3-6-13(11)16-2;2-3-1-4/h3-8,16H,9H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyCPDFPPVSJUKYFZ-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.38
Rot. Bonds5

About 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide

3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide (PubChem CID 144783818) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide.

Molecular Properties

Compound Name3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide
PubChem CID144783818
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide
SMILESCNc1cccc(Br)c1COc1cccnc1C.NNC=O
InChIInChI=1S/C14H15BrN2O.CH4N2O/c1-10-14(7-4-8-17-10)18-9-11-12(15)5-3-6-13(11)16-2;2-3-1-4/h3-8,16H,9H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyCPDFPPVSJUKYFZ-UHFFFAOYSA-N
XLogP2.38
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide?
The IUPAC name of 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide (CID 144783818) is 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide.
What is the SMILES notation for 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide?
The canonical SMILES for 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide is CNc1cccc(Br)c1COc1cccnc1C.NNC=O.
What is the InChIKey of 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide?
The InChIKey is CPDFPPVSJUKYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O.CH4N2O/c1-10-14(7-4-8-17-10)18-9-11-12(15)5-3-6-13(11)16-2;2-3-1-4/h3-8,16H,9H2,1-2H3;1H,2H2,(H,3,4).
What are the key properties of 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide?
3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide has a molecular weight of 367.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline;formohydrazide is sourced from PubChem (CID 144783818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).