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

C29H32N6O3 — CID 71252390

IUPAC2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(=O)NCc3cccnc3)CC2)c(C)c1
InChIInChI=1S/C29H32N6O3/c1-20-15-21(2)27(31-17-20)33-11-13-34(14-12-33)29(38)24-8-7-23(35-10-4-6-26(35)36)16-25(24)28(37)32-19-22-5-3-9-30-18-22/h3,5,7-9,15-18H,4,6,10-14,19H2,1-2H3,(H,32,37)
InChIKeyKDCWVCZIIPESLG-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.11
Rot. Bonds6

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

2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 71252390) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID71252390
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC Name2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(=O)NCc3cccnc3)CC2)c(C)c1
InChIInChI=1S/C29H32N6O3/c1-20-15-21(2)27(31-17-20)33-11-13-34(14-12-33)29(38)24-8-7-23(35-10-4-6-26(35)36)16-25(24)28(37)32-19-22-5-3-9-30-18-22/h3,5,7-9,15-18H,4,6,10-14,19H2,1-2H3,(H,32,37)
InChIKeyKDCWVCZIIPESLG-UHFFFAOYSA-N
XLogP3.11
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(piperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252878
1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252131
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-(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
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
2-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 46769247
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 51125155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 71252390) is 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide is Cc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(=O)NCc3cccnc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KDCWVCZIIPESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-20-15-21(2)27(31-17-20)33-11-13-34(14-12-33)29(38)24-8-7-23(35-10-4-6-26(35)36)16-25(24)28(37)32-19-22-5-3-9-30-18-22/h3,5,7-9,15-18H,4,6,10-14,19H2,1-2H3,(H,32,37).
What are the key properties of 2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 512.61 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 71252390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).