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

C28H34N4O4 — CID 159793245

IUPAC6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCN(Cc3ccccn3)CC2)c(O)c1-c1c(C)cccc1OC
InChIInChI=1S/C28H34N4O4/c1-4-5-11-21-24(23-19(2)9-8-12-22(23)36-3)26(33)25(27(34)30-21)28(35)32-16-14-31(15-17-32)18-20-10-6-7-13-29-20/h6-10,12-13H,4-5,11,14-18H2,1-3H3,(H2,30,33,34)
InChIKeyNIVKZCZXDJWMMJ-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.76
Rot. Bonds8

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

6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 159793245) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID159793245
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCN(Cc3ccccn3)CC2)c(O)c1-c1c(C)cccc1OC
InChIInChI=1S/C28H34N4O4/c1-4-5-11-21-24(23-19(2)9-8-12-22(23)36-3)26(33)25(27(34)30-21)28(35)32-16-14-31(15-17-32)18-20-10-6-7-13-29-20/h6-10,12-13H,4-5,11,14-18H2,1-3H3,(H2,30,33,34)
InChIKeyNIVKZCZXDJWMMJ-UHFFFAOYSA-N
XLogP3.76
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

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-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032259
6-butyl-3-[4-[3-(1,1-difluoroethyl)-2-pyridinyl]piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 145296617
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)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032147
6-butyl-3-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032297
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-[C-methyl-N-(2-methylphenyl)carbonimidoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 146342670
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-3-[4-(3-chlorophenyl)piperidine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032002

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 159793245) is 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CCN(Cc3ccccn3)CC2)c(O)c1-c1c(C)cccc1OC.
What is the InChIKey of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NIVKZCZXDJWMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-4-5-11-21-24(23-19(2)9-8-12-22(23)36-3)26(33)25(27(34)30-21)28(35)32-16-14-31(15-17-32)18-20-10-6-7-13-29-20/h6-10,12-13H,4-5,11,14-18H2,1-3H3,(H2,30,33,34).
What are the key properties of 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 490.60 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 159793245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).