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

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

6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 170034078) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name	6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID	170034078
Molecular Formula	C22H27FN2O3
Molecular Weight	386.47 g/mol
Exact Mass	386.20
IUPAC Name	6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
SMILES	C/C(Cc1cc(C(C)O)c(CO)c(=O)[nH]1)=C1\CCCc2c(C)c(F)cc(N)c21
InChI	InChI=1S/C22H27FN2O3/c1-11(7-14-8-17(13(3)27)18(10-26)22(28)25-14)15-5-4-6-16-12(2)19(23)9-20(24)21(15)16/h8-9,13,26-27H,4-7,10,24H2,1-3H3,(H,25,28)/b15-11-
InChIKey	POBDFKNEVGHWGR-PTNGSMBKSA-N
XLogP	3.30
TPSA	99.34 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

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]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-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]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one (CID 170034078) is 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-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]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-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]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one is C/C(Cc1cc(C(C)O)c(CO)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]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one?

The InChIKey is POBDFKNEVGHWGR-PTNGSMBKSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-11(7-14-8-17(13(3)27)18(10-26)22(28)25-14)15-5-4-6-16-12(2)19(23)9-20(24)21(15)16/h8-9,13,26-27H,4-7,10,24H2,1-3H3,(H,25,28)/b15-11-.

What are the key properties of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one?

6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 386.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 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]-4-(1-hydroxyethyl)-3-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 170034078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).