5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

C27H29FN2O6 — CID 129032355

IUPAC5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C27H29FN2O6/c1-4-36-15-19-22(23-20(34-2)10-7-11-21(23)35-3)25(31)24(26(32)29-19)27(33)30-13-12-16(14-30)17-8-5-6-9-18(17)28/h5-11,16H,4,12-15H2,1-3H3,(H2,29,31,32)
InChIKeyMJRQWNRBGLQROP-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.07
Rot. Bonds8

About 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (PubChem CID 129032355) has the molecular formula C27H29FN2O6 and a molecular weight of 496.54 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
PubChem CID129032355
Molecular FormulaC27H29FN2O6
Molecular Weight496.54 g/mol
Exact Mass496.20
IUPAC Name5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C27H29FN2O6/c1-4-36-15-19-22(23-20(34-2)10-7-11-21(23)35-3)25(31)24(26(32)29-19)27(33)30-13-12-16(14-30)17-8-5-6-9-18(17)28/h5-11,16H,4,12-15H2,1-3H3,(H2,29,31,32)
InChIKeyMJRQWNRBGLQROP-UHFFFAOYSA-N
XLogP4.07
TPSA101.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 159624060
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-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 139557830
6-butyl-3-[4-(3-chlorophenyl)piperidine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032002
6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032259
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 162253883
3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-(4-fluorophenyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 160717003
6-butyl-3-[3-[(2,3-difluorophenyl)methoxy]azetidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 158161336
6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032147
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 146342670
N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide
CID 164673215

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (CID 129032355) is 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is CCOCc1[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The InChIKey is MJRQWNRBGLQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O6/c1-4-36-15-19-22(23-20(34-2)10-7-11-21(23)35-3)25(31)24(26(32)29-19)27(33)30-13-12-16(14-30)17-8-5-6-9-18(17)28/h5-11,16H,4,12-15H2,1-3H3,(H2,29,31,32).
What are the key properties of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one has a molecular weight of 496.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 129032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).