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

C25H28N4O3 — CID 90012094

IUPACN-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C25H28N4O3/c1-17-3-5-20(6-4-17)28(2)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/h3-7,10,13,16,19H,8-9,11-12,14-15H2,1-2H3,(H,27,30)
InChIKeyKLOWRLBSRNNKIQ-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.22
Rot. Bonds4

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

N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012094) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012094
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C25H28N4O3/c1-17-3-5-20(6-4-17)28(2)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/h3-7,10,13,16,19H,8-9,11-12,14-15H2,1-2H3,(H,27,30)
InChIKeyKLOWRLBSRNNKIQ-UHFFFAOYSA-N
XLogP4.22
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012094) is N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1ccc(N(C)C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1.
What is the InChIKey of N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KLOWRLBSRNNKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-3-5-20(6-4-17)28(2)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/h3-7,10,13,16,19H,8-9,11-12,14-15H2,1-2H3,(H,27,30).
What are the key properties of N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[methyl-(4-methylphenyl)carbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).