N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide

C24H28FN3O2 — CID 137478289

IUPACN-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCN(C)C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H28FN3O2/c1-15(2)22(24(30)26-12-13-28(3)4)18-10-11-21(27-23(18)29)17-9-8-16-6-5-7-20(25)19(16)14-17/h5-11,14-15,22H,12-13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyZNTWSPAREKPGSB-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide

N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (PubChem CID 137478289) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
PubChem CID137478289
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCN(C)C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H28FN3O2/c1-15(2)22(24(30)26-12-13-28(3)4)18-10-11-21(27-23(18)29)17-9-8-16-6-5-7-20(25)19(16)14-17/h5-11,14-15,22H,12-13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyZNTWSPAREKPGSB-UHFFFAOYSA-N
XLogP3.75
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-((2-Naphthylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453441
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide;hydrochloride
CID 22175262
N-[(4-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659185
N-[(3-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659186
6-(8-fluoronaphthalen-2-yl)-3-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
CID 137487344
(E)-5-amino-N-[(2R)-1-[[(2R)-3-(4-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
CID 10437444
5-Methyl-3-[4-(Piperazin-1-Ylmethyl)phenyl]isoquinolin-1(2h)-One
CID 71737385
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 24819765
3-[(3,5-Bis-trifluoromethyl-benzylamino)-methyl]-2,6,7-trimethyl-4-phenyl-2H-isoquinolin-1-one
CID 10459262
(2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one
CID 11232605
(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 15983822

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (CID 137478289) is N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is CC(C)C(C(=O)NCCN(C)C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The InChIKey is ZNTWSPAREKPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-15(2)22(24(30)26-12-13-28(3)4)18-10-11-21(27-23(18)29)17-9-8-16-6-5-7-20(25)19(16)14-17/h5-11,14-15,22H,12-13H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide has a molecular weight of 409.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 137478289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).