N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide

C28H32F3N3O2 — CID 142842005

IUPACN'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)NNc3ncc(C(F)(F)F)cc3C)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C28H32F3N3O2/c1-16-12-21-22(27(5,6)10-9-26(21,3)4)14-18(16)13-20-7-8-23(36-20)25(35)34-33-24-17(2)11-19(15-32-24)28(29,30)31/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,32,33)(H,34,35)
InChIKeyBWKPIZWWWZMCFC-UHFFFAOYSA-N
MW499.58 g/mol
LogP7.01
Rot. Bonds5

About N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide

N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide (PubChem CID 142842005) has the molecular formula C28H32F3N3O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide
PubChem CID142842005
Molecular FormulaC28H32F3N3O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC NameN'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)NNc3ncc(C(F)(F)F)cc3C)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C28H32F3N3O2/c1-16-12-21-22(27(5,6)10-9-26(21,3)4)14-18(16)13-20-7-8-23(36-20)25(35)34-33-24-17(2)11-19(15-32-24)28(29,30)31/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,32,33)(H,34,35)
InChIKeyBWKPIZWWWZMCFC-UHFFFAOYSA-N
XLogP7.01
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 57.01
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

5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 21045842
N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047206
N-[4-[3,5-bis(trifluoromethyl)anilino]pyrimidin-2-yl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047798
N-(4,6-dimethoxypyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047840
N-(1-hydroxy-3-phenylpropan-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046764
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21045848
N-[(2-chlorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047293
N-(cyclohexylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048323
N-(2-hydroxy-3,5-dimethylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047410
N-(2-carbamoylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047261
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048002
N-(2,4-dichloro-6-methylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047138

Frequently Asked Questions

What is the IUPAC name of N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide (CID 142842005) is N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide is Cc1cc2c(cc1Cc1ccc(C(=O)NNc3ncc(C(F)(F)F)cc3C)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide?
The InChIKey is BWKPIZWWWZMCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O2/c1-16-12-21-22(27(5,6)10-9-26(21,3)4)14-18(16)13-20-7-8-23(36-20)25(35)34-33-24-17(2)11-19(15-32-24)28(29,30)31/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,32,33)(H,34,35).
What are the key properties of N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide?
N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide has a molecular weight of 499.58 g/mol, XLogP of 7.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 142842005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).