2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide

C23H27N5O3 — CID 71252968

IUPAC2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(N)=O)CC2)c(C)c1
InChIInChI=1S/C23H27N5O3/c1-15-12-16(2)22(25-14-15)26-8-10-27(11-9-26)23(31)18-6-5-17(13-19(18)21(24)30)28-7-3-4-20(28)29/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,24,30)
InChIKeyBOFFLPSXHSXYGQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide

2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 71252968) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID71252968
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(N)=O)CC2)c(C)c1
InChIInChI=1S/C23H27N5O3/c1-15-12-16(2)22(25-14-15)26-8-10-27(11-9-26)23(31)18-6-5-17(13-19(18)21(24)30)28-7-3-4-20(28)29/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,24,30)
InChIKeyBOFFLPSXHSXYGQ-UHFFFAOYSA-N
XLogP1.89
TPSA99.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(piperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252878
1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one
CID 71252650
1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252131
2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 71252390
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(2-oxopyrrolidin-1-yl)phenyl]-5-methylpyrrolidine-2-carbaldehyde
CID 174672923
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one
CID 71252543
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
CID 71252506
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(piperidine-1-carbonyl)phenyl]methanone
CID 71252425
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-hydroxy-3,5-dimethylimidazol-2-one
CID 123782642
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide (CID 71252968) is 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide is Cc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(N)=O)CC2)c(C)c1.
What is the InChIKey of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BOFFLPSXHSXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-12-16(2)22(25-14-15)26-8-10-27(11-9-26)23(31)18-6-5-17(13-19(18)21(24)30)28-7-3-4-20(28)29/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,24,30).
What are the key properties of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 71252968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).