3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one

C27H28F2N2O5 — CID 159624060

IUPAC3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(C(=O)N2CCC(c3c(F)cccc3F)C2)c(O)c1-c1c(C)cccc1OC
InChIInChI=1S/C27H28F2N2O5/c1-4-36-14-19-23(21-15(2)7-5-10-20(21)35-3)25(32)24(26(33)30-19)27(34)31-12-11-16(13-31)22-17(28)8-6-9-18(22)29/h5-10,16H,4,11-14H2,1-3H3,(H2,30,32,33)
InChIKeyMOGKODRREBFYLC-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.51
Rot. Bonds7

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

3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one (PubChem CID 159624060) has the molecular formula C27H28F2N2O5 and a molecular weight of 498.53 g/mol. Its IUPAC name is 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
PubChem CID159624060
Molecular FormulaC27H28F2N2O5
Molecular Weight498.53 g/mol
Exact Mass498.20
IUPAC Name3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(C(=O)N2CCC(c3c(F)cccc3F)C2)c(O)c1-c1c(C)cccc1OC
InChIInChI=1S/C27H28F2N2O5/c1-4-36-14-19-23(21-15(2)7-5-10-20(21)35-3)25(32)24(26(33)30-19)27(34)31-12-11-16(13-31)22-17(28)8-6-9-18(22)29/h5-10,16H,4,11-14H2,1-3H3,(H2,30,32,33)
InChIKeyMOGKODRREBFYLC-UHFFFAOYSA-N
XLogP4.51
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032355
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 162071368
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-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 162253883
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-butyl-3-[4-(3-chlorophenyl)piperidine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032002
6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one
CID 129032254
6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032259
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
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 159793245

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one (CID 159624060) is 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one is CCOCc1[nH]c(=O)c(C(=O)N2CCC(c3c(F)cccc3F)C2)c(O)c1-c1c(C)cccc1OC.
What is the InChIKey of 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The InChIKey is MOGKODRREBFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O5/c1-4-36-14-19-23(21-15(2)7-5-10-20(21)35-3)25(32)24(26(33)30-19)27(34)31-12-11-16(13-31)22-17(28)8-6-9-18(22)29/h5-10,16H,4,11-14H2,1-3H3,(H2,30,32,33).
What are the key properties of 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one has a molecular weight of 498.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 159624060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).