6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C29H34N6O6 — CID 25175720

IUPAC6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOCCOc1cc2c(cc1OCCOC)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2
InChIInChI=1S/C29H34N6O6/c1-38-12-14-40-25-16-20-19-35(29(37)21(20)17-26(25)41-15-13-39-2)27-5-3-4-22(32-27)28(36)33-23-18-31-7-6-24(23)34-10-8-30-9-11-34/h3-7,16-18,30H,8-15,19H2,1-2H3,(H,33,36)
InChIKeyRNDPBFUNYJFMEM-UHFFFAOYSA-N
MW562.63 g/mol
LogP2.35
Rot. Bonds12

About 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 25175720) has the molecular formula C29H34N6O6 and a molecular weight of 562.63 g/mol. Its IUPAC name is 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID25175720
Molecular FormulaC29H34N6O6
Molecular Weight562.63 g/mol
Exact Mass562.25
IUPAC Name6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOCCOc1cc2c(cc1OCCOC)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2
InChIInChI=1S/C29H34N6O6/c1-38-12-14-40-25-16-20-19-35(29(37)21(20)17-26(25)41-15-13-39-2)27-5-3-4-22(32-27)28(36)33-23-18-31-7-6-24(23)34-10-8-30-9-11-34/h3-7,16-18,30H,8-15,19H2,1-2H3,(H,33,36)
InChIKeyRNDPBFUNYJFMEM-UHFFFAOYSA-N
XLogP2.35
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 25175720) is 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is COCCOc1cc2c(cc1OCCOC)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.
What is the InChIKey of 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is RNDPBFUNYJFMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O6/c1-38-12-14-40-25-16-20-19-35(29(37)21(20)17-26(25)41-15-13-39-2)27-5-3-4-22(32-27)28(36)33-23-18-31-7-6-24(23)34-10-8-30-9-11-34/h3-7,16-18,30H,8-15,19H2,1-2H3,(H,33,36).
What are the key properties of 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 562.63 g/mol, XLogP of 2.35, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 25175720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).