6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

C23H23N5O4 — CID 134450325

IUPAC6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCOCCOCCn1cc(NC(=O)c2cccc(-c3ccoc3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C23H23N5O4/c1-30-13-14-31-12-10-28-15-21(22(27-28)19-5-2-3-9-24-19)26-23(29)20-7-4-6-18(25-20)17-8-11-32-16-17/h2-9,11,15-16H,10,12-14H2,1H3,(H,26,29)
InChIKeyIGCHUSNDZRCYRI-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.52
Rot. Bonds10

About 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 134450325) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID134450325
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCOCCOCCn1cc(NC(=O)c2cccc(-c3ccoc3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C23H23N5O4/c1-30-13-14-31-12-10-28-15-21(22(27-28)19-5-2-3-9-24-19)26-23(29)20-7-4-6-18(25-20)17-8-11-32-16-17/h2-9,11,15-16H,10,12-14H2,1H3,(H,26,29)
InChIKeyIGCHUSNDZRCYRI-UHFFFAOYSA-N
XLogP3.52
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (CID 134450325) is 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is COCCOCCn1cc(NC(=O)c2cccc(-c3ccoc3)n2)c(-c2ccccn2)n1.
What is the InChIKey of 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is IGCHUSNDZRCYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-30-13-14-31-12-10-28-15-21(22(27-28)19-5-2-3-9-24-19)26-23(29)20-7-4-6-18(25-20)17-8-11-32-16-17/h2-9,11,15-16H,10,12-14H2,1H3,(H,26,29).
What are the key properties of 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134450325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).