2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide

C23H25FN2O2 — CID 137478210

IUPAC2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C
InChIInChI=1S/C23H25FN2O2/c1-13(2)21(23(28)25-14(3)4)17-10-11-20(26-22(17)27)16-9-8-15-6-5-7-19(24)18(15)12-16/h5-14,21H,1-4H3,(H,25,28)(H,26,27)
InChIKeyMEWSPTWFCUUDLI-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.60
Rot. Bonds5

About 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide

2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide (PubChem CID 137478210) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide
PubChem CID137478210
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C
InChIInChI=1S/C23H25FN2O2/c1-13(2)21(23(28)25-14(3)4)17-10-11-20(26-22(17)27)16-9-8-15-6-5-7-19(24)18(15)12-16/h5-14,21H,1-4H3,(H,25,28)(H,26,27)
InChIKeyMEWSPTWFCUUDLI-UHFFFAOYSA-N
XLogP4.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
3-((2-Naphthylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453441
Substituted Benzamide Derivative, 2
CID 44236114
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
N-(piperidin-4-yl)-N-propyl-2-naphthamide
CID 45487772
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((1-naphthalenylmethyl)amino)-
CID 454391
5-Ethyl-6-methyl-3-{[1-(naphthalen-2-yl)ethyl]amino}-1,2-dihydropyridin-2-one
CID 454428
PLpro-IN-1
CID 1287748
6-(3-Aminopropyl)-1-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide
CID 15982885
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylpropanamide
CID 15983816

Frequently Asked Questions

What is the IUPAC name of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide (CID 137478210) is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C.
What is the InChIKey of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is MEWSPTWFCUUDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-13(2)21(23(28)25-14(3)4)17-10-11-20(26-22(17)27)16-9-8-15-6-5-7-19(24)18(15)12-16/h5-14,21H,1-4H3,(H,25,28)(H,26,27).
What are the key properties of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide?
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 380.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 137478210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).