6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

C28H32FN3O3 — CID 139557830

IUPAC6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c(O)c1N(CC)c1ccccc1
InChIInChI=1S/C28H32FN3O3/c1-3-5-15-23-25(32(4-2)20-11-7-6-8-12-20)26(33)24(27(34)30-23)28(35)31-17-16-19(18-31)21-13-9-10-14-22(21)29/h6-14,19H,3-5,15-18H2,1-2H3,(H2,30,33,34)
InChIKeyDTHXBGKOCBEBDD-UHFFFAOYSA-N
MW477.58 g/mol
LogP5.35
Rot. Bonds8

About 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (PubChem CID 139557830) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
PubChem CID139557830
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c(O)c1N(CC)c1ccccc1
InChIInChI=1S/C28H32FN3O3/c1-3-5-15-23-25(32(4-2)20-11-7-6-8-12-20)26(33)24(27(34)30-23)28(35)31-17-16-19(18-31)21-13-9-10-14-22(21)29/h6-14,19H,3-5,15-18H2,1-2H3,(H2,30,33,34)
InChIKeyDTHXBGKOCBEBDD-UHFFFAOYSA-N
XLogP5.35
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.58
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one
CID 139576720
5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032355
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 162071368
6-butyl-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(3-propan-2-ylphenyl)-1H-pyridin-2-one
CID 129032171
3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 159624060
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 162253883
1-ethyl-4-[2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 97268997
[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 70741594
6-butyl-3-[4-(3-chlorophenyl)piperidine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032002
2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
CID 72858406
6-butyl-3-[3-[(2,3-difluorophenyl)methoxy]azetidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 158161336

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (CID 139557830) is 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c(O)c1N(CC)c1ccccc1.
What is the InChIKey of 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The InChIKey is DTHXBGKOCBEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-3-5-15-23-25(32(4-2)20-11-7-6-8-12-20)26(33)24(27(34)30-23)28(35)31-17-16-19(18-31)21-13-9-10-14-22(21)29/h6-14,19H,3-5,15-18H2,1-2H3,(H2,30,33,34).
What are the key properties of 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one has a molecular weight of 477.58 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 139557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).