N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide

C22H22N6O4 — CID 166183455

IUPACN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2C1=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C22H22N6O4/c29-18(13-28-21(31)16-2-1-7-23-19(16)22(28)32)25-15-5-6-17(24-12-15)26-8-10-27(11-9-26)20(30)14-3-4-14/h1-2,5-7,12,14H,3-4,8-11,13H2,(H,25,29)
InChIKeyNIQVDWMAIGDNRE-UHFFFAOYSA-N
MW434.46 g/mol
LogP0.77
Rot. Bonds5

About N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide

N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide (PubChem CID 166183455) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
PubChem CID166183455
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC NameN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2C1=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C22H22N6O4/c29-18(13-28-21(31)16-2-1-7-23-19(16)22(28)32)25-15-5-6-17(24-12-15)26-8-10-27(11-9-26)20(30)14-3-4-14/h1-2,5-7,12,14H,3-4,8-11,13H2,(H,25,29)
InChIKeyNIQVDWMAIGDNRE-UHFFFAOYSA-N
XLogP0.77
TPSA115.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide 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

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
CID 119871177
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride
CID 119871176
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113202630
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113202632
N-(2,6-difluorophenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201972
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119871174
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
N-(3-chloro-2-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201908
1-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-(2,5-dimethylphenyl)urea
CID 46053542

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide?
The IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide (CID 166183455) is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide?
The canonical SMILES for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide is O=C(CN1C(=O)c2cccnc2C1=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.
What is the InChIKey of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide?
The InChIKey is NIQVDWMAIGDNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c29-18(13-28-21(31)16-2-1-7-23-19(16)22(28)32)25-15-5-6-17(24-12-15)26-8-10-27(11-9-26)20(30)14-3-4-14/h1-2,5-7,12,14H,3-4,8-11,13H2,(H,25,29).
What are the key properties of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide?
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide has a molecular weight of 434.46 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide is sourced from PubChem (CID 166183455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).