6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one

C27H32N4O5 — CID 129032287

IUPAC6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCN(c3ccncc3)CC2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C27H32N4O5/c1-4-5-7-19-22(23-20(35-2)8-6-9-21(23)36-3)25(32)24(26(33)29-19)27(34)31-16-14-30(15-17-31)18-10-12-28-13-11-18/h6,8-13H,4-5,7,14-17H2,1-3H3,(H2,29,32,33)
InChIKeyKQRRAIWYFKBTNV-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.46
Rot. Bonds8

About 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one

6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 129032287) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
PubChem CID129032287
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCN(c3ccncc3)CC2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C27H32N4O5/c1-4-5-7-19-22(23-20(35-2)8-6-9-21(23)36-3)25(32)24(26(33)29-19)27(34)31-16-14-30(15-17-31)18-10-12-28-13-11-18/h6,8-13H,4-5,7,14-17H2,1-3H3,(H2,29,32,33)
InChIKeyKQRRAIWYFKBTNV-UHFFFAOYSA-N
XLogP3.46
TPSA107.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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-(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-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-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 159793245
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-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-[4-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146342705
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 162253883
propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200805

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one (CID 129032287) is 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CCN(c3ccncc3)CC2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is KQRRAIWYFKBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-4-5-7-19-22(23-20(35-2)8-6-9-21(23)36-3)25(32)24(26(33)29-19)27(34)31-16-14-30(15-17-31)18-10-12-28-13-11-18/h6,8-13H,4-5,7,14-17H2,1-3H3,(H2,29,32,33).
What are the key properties of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one?
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 492.58 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 129032287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).