6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one

C21H25FN2O — CID 170034482

IUPAC6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one
SMILESC/C(Cc1cc(C)c(C)c(=O)[nH]1)=C1\CCCc2c(C)c(F)cc(N)c21
InChIInChI=1S/C21H25FN2O/c1-11-8-15(24-21(25)13(11)3)9-12(2)16-6-5-7-17-14(4)18(22)10-19(23)20(16)17/h8,10H,5-7,9,23H2,1-4H3,(H,24,25)/b16-12-
InChIKeyAVSJPGJISLSRCV-VBKFSLOCSA-N
MW340.44 g/mol
LogP4.37
Rot. Bonds2

About 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one

6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one (PubChem CID 170034482) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one
PubChem CID170034482
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one
SMILESC/C(Cc1cc(C)c(C)c(=O)[nH]1)=C1\CCCc2c(C)c(F)cc(N)c21
InChIInChI=1S/C21H25FN2O/c1-11-8-15(24-21(25)13(11)3)9-12(2)16-6-5-7-17-14(4)18(22)10-19(23)20(16)17/h8,10H,5-7,9,23H2,1-4H3,(H,24,25)/b16-12-
InChIKeyAVSJPGJISLSRCV-VBKFSLOCSA-N
XLogP4.37
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one?
The IUPAC name of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one (CID 170034482) is 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one is C/C(Cc1cc(C)c(C)c(=O)[nH]1)=C1\CCCc2c(C)c(F)cc(N)c21.
What is the InChIKey of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one?
The InChIKey is AVSJPGJISLSRCV-VBKFSLOCSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-11-8-15(24-21(25)13(11)3)9-12(2)16-6-5-7-17-14(4)18(22)10-19(23)20(16)17/h8,10H,5-7,9,23H2,1-4H3,(H,24,25)/b16-12-.
What are the key properties of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one?
6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one has a molecular weight of 340.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 170034482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).