N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C25H24N4O3 — CID 130289893

IUPACN-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC#Cc1ccc(NC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C25H24N4O3/c1-2-17-3-5-20(6-4-17)28-24(31)29-11-8-25(9-12-29)14-19(25)15-27-23(30)21-13-18-7-10-26-16-22(18)32-21/h1,3-7,10,13,16,19H,8-9,11-12,14-15H2,(H,27,30)(H,28,31)
InChIKeyHEDLQADGADKOSZ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.87
Rot. Bonds4

About N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 130289893) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID130289893
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC#Cc1ccc(NC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C25H24N4O3/c1-2-17-3-5-20(6-4-17)28-24(31)29-11-8-25(9-12-29)14-19(25)15-27-23(30)21-13-18-7-10-26-16-22(18)32-21/h1,3-7,10,13,16,19H,8-9,11-12,14-15H2,(H,27,30)(H,28,31)
InChIKeyHEDLQADGADKOSZ-UHFFFAOYSA-N
XLogP3.87
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 130289893) is N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is C#Cc1ccc(NC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1.
What is the InChIKey of N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HEDLQADGADKOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-17-3-5-20(6-4-17)28-24(31)29-11-8-25(9-12-29)14-19(25)15-27-23(30)21-13-18-7-10-26-16-22(18)32-21/h1,3-7,10,13,16,19H,8-9,11-12,14-15H2,(H,27,30)(H,28,31).
What are the key properties of N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-ethynylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 130289893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).