N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine

C16H17F2N3O — CID 9121907

IUPACN-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine
SMILESC/C(CCc1ccc(OC(F)F)cc1)=N/Nc1ccccn1
InChIInChI=1S/C16H17F2N3O/c1-12(20-21-15-4-2-3-11-19-15)5-6-13-7-9-14(10-8-13)22-16(17)18/h2-4,7-11,16H,5-6H2,1H3,(H,19,21)/b20-12-
InChIKeyYGYWJWVUFWGTAY-NDENLUEZSA-N
MW305.33 g/mol
LogP4.10
Rot. Bonds7

About N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine

N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine (PubChem CID 9121907) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine
PubChem CID9121907
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine
SMILESC/C(CCc1ccc(OC(F)F)cc1)=N/Nc1ccccn1
InChIInChI=1S/C16H17F2N3O/c1-12(20-21-15-4-2-3-11-19-15)5-6-13-7-9-14(10-8-13)22-16(17)18/h2-4,7-11,16H,5-6H2,1H3,(H,19,21)/b20-12-
InChIKeyYGYWJWVUFWGTAY-NDENLUEZSA-N
XLogP4.10
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]benzamide
CID 9016538
N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012395
N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9179511
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]pyridin-2-amine
CID 9121645
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
5-[4-(difluoromethoxy)phenyl]-3-methylpent-2-en-1-amine
CID 76997203
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
2-[1-[[4-(difluoromethoxy)phenyl]methyl]-5-hydroxy-3,4-dimethylpyrrol-2-yl]sulfanyl-N-pyridin-2-ylacetamide
CID 91354986
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine?
The IUPAC name of N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine (CID 9121907) is N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine is C/C(CCc1ccc(OC(F)F)cc1)=N/Nc1ccccn1.
What is the InChIKey of N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine?
The InChIKey is YGYWJWVUFWGTAY-NDENLUEZSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-12(20-21-15-4-2-3-11-19-15)5-6-13-7-9-14(10-8-13)22-16(17)18/h2-4,7-11,16H,5-6H2,1H3,(H,19,21)/b20-12-.
What are the key properties of N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine?
N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine has a molecular weight of 305.33 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]pyridin-2-amine is sourced from PubChem (CID 9121907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).