6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

C29H34N2O5 — CID 162253883

IUPAC6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CC[C@H](OCc3ccccc3)C2)c(O)c1-c1c(C)cccc1OC
InChIInChI=1S/C29H34N2O5/c1-4-5-13-22-25(24-19(2)10-9-14-23(24)35-3)27(32)26(28(33)30-22)29(34)31-16-15-21(17-31)36-18-20-11-7-6-8-12-20/h6-12,14,21H,4-5,13,15-18H2,1-3H3,(H2,30,32,33)/t21-/m0/s1
InChIKeyZYIOWOKDLYLLHT-NRFANRHFSA-N
MW490.60 g/mol
LogP4.84
Rot. Bonds9

About 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 162253883) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID162253883
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CC[C@H](OCc3ccccc3)C2)c(O)c1-c1c(C)cccc1OC
InChIInChI=1S/C29H34N2O5/c1-4-5-13-22-25(24-19(2)10-9-14-23(24)35-3)27(32)26(28(33)30-22)29(34)31-16-15-21(17-31)36-18-20-11-7-6-8-12-20/h6-12,14,21H,4-5,13,15-18H2,1-3H3,(H2,30,32,33)/t21-/m0/s1
InChIKeyZYIOWOKDLYLLHT-NRFANRHFSA-N
XLogP4.84
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
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-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 159793245
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-3-[4-(3-chlorophenyl)piperidine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032002
6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(Z)-1-(ethylideneamino)prop-1-enyl]piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 146342711
6-butyl-3-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032297
6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032211
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 129032287
6-butyl-3-[4-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146342705

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 162253883) is 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CC[C@H](OCc3ccccc3)C2)c(O)c1-c1c(C)cccc1OC.
What is the InChIKey of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZYIOWOKDLYLLHT-NRFANRHFSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-4-5-13-22-25(24-19(2)10-9-14-23(24)35-3)27(32)26(28(33)30-22)29(34)31-16-15-21(17-31)36-18-20-11-7-6-8-12-20/h6-12,14,21H,4-5,13,15-18H2,1-3H3,(H2,30,32,33)/t21-/m0/s1.
What are the key properties of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 490.60 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 162253883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).