N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide

C16H16F3N3O2 — CID 69085057

IUPACN'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide
SMILESCCC(=O)NNc1nccc(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-2-13(23)21-22-15-14(16(17,18)19)12(8-9-20-15)24-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyGHBSICMFISZRBX-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.53
Rot. Bonds6

About N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide

N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide (PubChem CID 69085057) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide.

Molecular Properties

Compound NameN'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide
PubChem CID69085057
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide
SMILESCCC(=O)NNc1nccc(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-2-13(23)21-22-15-14(16(17,18)19)12(8-9-20-15)24-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyGHBSICMFISZRBX-UHFFFAOYSA-N
XLogP3.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
(3-methyl-4-phenylmethoxy-2-pyridinyl)hydrazine
CID 70451114
2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 66788385
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate
CID 140644516
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923731
1-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]butane-1,3-dione
CID 90811092
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879

Frequently Asked Questions

What is the IUPAC name of N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The IUPAC name of N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide (CID 69085057) is N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide.
What is the SMILES notation for N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The canonical SMILES for N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide is CCC(=O)NNc1nccc(OCc2ccccc2)c1C(F)(F)F.
What is the InChIKey of N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The InChIKey is GHBSICMFISZRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-2-13(23)21-22-15-14(16(17,18)19)12(8-9-20-15)24-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide has a molecular weight of 339.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-phenylmethoxy-3-(trifluoromethyl)-2-pyridinyl]propanehydrazide is sourced from PubChem (CID 69085057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).