N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C24H33N5O3 — CID 71715868

IUPACN-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(CCC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1
InChIInChI=1S/C24H33N5O3/c1-27-10-12-28(13-11-27)7-3-22(30)29-8-4-24(5-9-29)15-19(24)16-26-23(31)20-14-18-2-6-25-17-21(18)32-20/h2,6,14,17,19H,3-5,7-13,15-16H2,1H3,(H,26,31)
InChIKeyZLRXMCWCKRTHKH-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.82
Rot. Bonds6

About N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715868) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715868
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(CCC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1
InChIInChI=1S/C24H33N5O3/c1-27-10-12-28(13-11-27)7-3-22(30)29-8-4-24(5-9-29)15-19(24)16-26-23(31)20-14-18-2-6-25-17-21(18)32-20/h2,6,14,17,19H,3-5,7-13,15-16H2,1H3,(H,26,31)
InChIKeyZLRXMCWCKRTHKH-UHFFFAOYSA-N
XLogP1.82
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715868) is N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CN1CCN(CCC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1.
What is the InChIKey of N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZLRXMCWCKRTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-27-10-12-28(13-11-27)7-3-22(30)29-8-4-24(5-9-29)15-19(24)16-26-23(31)20-14-18-2-6-25-17-21(18)32-20/h2,6,14,17,19H,3-5,7-13,15-16H2,1H3,(H,26,31).
What are the key properties of N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(4-methylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).