(3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide

C25H25F2N5O3 — CID 174262293

IUPAC(3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide
SMILESCOc1ccc(N(N)/N=C(/C)C(C=O)C(=O)Nc2cccc(C(C)(F)F)c2)cc1-c1ccccn1
InChIInChI=1S/C25H25F2N5O3/c1-16(21(15-33)24(34)30-18-8-6-7-17(13-18)25(2,26)27)31-32(28)19-10-11-23(35-3)20(14-19)22-9-4-5-12-29-22/h4-15,21H,28H2,1-3H3,(H,30,34)/b31-16-
InChIKeyFPRFCVYABRWARQ-ACXHZZMFSA-N
MW481.50 g/mol
LogP4.38
Rot. Bonds9

About (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide

(3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide (PubChem CID 174262293) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide.

Molecular Properties

Compound Name(3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide
PubChem CID174262293
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC Name(3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide
SMILESCOc1ccc(N(N)/N=C(/C)C(C=O)C(=O)Nc2cccc(C(C)(F)F)c2)cc1-c1ccccn1
InChIInChI=1S/C25H25F2N5O3/c1-16(21(15-33)24(34)30-18-8-6-7-17(13-18)25(2,26)27)31-32(28)19-10-11-23(35-3)20(14-19)22-9-4-5-12-29-22/h4-15,21H,28H2,1-3H3,(H,30,34)/b31-16-
InChIKeyFPRFCVYABRWARQ-ACXHZZMFSA-N
XLogP4.38
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen
CID 155721712
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
N-[3-(1,1-difluoroethyl)phenyl]-2-hydroxyacetamide
CID 126784306
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58829955
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 57365585
N-[3-[1,1-difluoro-2-(methylamino)-2-oxoethyl]phenyl]-1-[4-(1-fluoroethoxy)-3-pyridin-2-ylphenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 155721609
N-(3-methoxyphenyl)-2-pyridin-2-ylbenzamide
CID 140997803
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
(3Z)-3-[[4-(difluoromethoxy)phenyl]-formylhydrazinylidene]-N-[3-(1,1-difluoropropyl)phenyl]-2-methylbutanamide
CID 155311365
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42967725

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide?
The IUPAC name of (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide (CID 174262293) is (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide.
What is the SMILES notation for (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide?
The canonical SMILES for (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide is COc1ccc(N(N)/N=C(/C)C(C=O)C(=O)Nc2cccc(C(C)(F)F)c2)cc1-c1ccccn1.
What is the InChIKey of (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide?
The InChIKey is FPRFCVYABRWARQ-ACXHZZMFSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-16(21(15-33)24(34)30-18-8-6-7-17(13-18)25(2,26)27)31-32(28)19-10-11-23(35-3)20(14-19)22-9-4-5-12-29-22/h4-15,21H,28H2,1-3H3,(H,30,34)/b31-16-.
What are the key properties of (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide?
(3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide has a molecular weight of 481.50 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide is sourced from PubChem (CID 174262293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).