N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

C21H23N5O3 — CID 108872350

IUPACN-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1C(=O)c2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2C1=O
InChIInChI=1S/C21H23N5O3/c1-14(2)26-19(27)16-7-6-15(13-17(16)20(26)28)23-21(29)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,23,29)
InChIKeyVMGGUPTUBXMPEA-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.44
Rot. Bonds3

About N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108872350) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108872350
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1C(=O)c2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2C1=O
InChIInChI=1S/C21H23N5O3/c1-14(2)26-19(27)16-7-6-15(13-17(16)20(26)28)23-21(29)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,23,29)
InChIKeyVMGGUPTUBXMPEA-UHFFFAOYSA-N
XLogP2.44
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 894053
N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 71704653
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 893544
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108872350) is N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is CC(C)N1C(=O)c2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2C1=O.
What is the InChIKey of N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is VMGGUPTUBXMPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14(2)26-19(27)16-7-6-15(13-17(16)20(26)28)23-21(29)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,23,29).
What are the key properties of N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108872350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).