N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C24H22N4O3 — CID 130290308

IUPACN-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC#Cc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cn1
InChIInChI=1S/C24H22N4O3/c1-2-19-4-3-17(13-26-19)23(30)28-9-6-24(7-10-28)12-18(24)14-27-22(29)20-11-16-5-8-25-15-21(16)31-20/h1,3-5,8,11,13,15,18H,6-7,9-10,12,14H2,(H,27,29)
InChIKeyGVVNSKVTSOTRCG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.88
Rot. Bonds4

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

N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 130290308) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID130290308
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC#Cc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cn1
InChIInChI=1S/C24H22N4O3/c1-2-19-4-3-17(13-26-19)23(30)28-9-6-24(7-10-28)12-18(24)14-27-22(29)20-11-16-5-8-25-15-21(16)31-20/h1,3-5,8,11,13,15,18H,6-7,9-10,12,14H2,(H,27,29)
InChIKeyGVVNSKVTSOTRCG-UHFFFAOYSA-N
XLogP2.88
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-benzoyl-6-azaspiro[2.5]octan-2-yl)methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90011955
N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715697
N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715865
N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012576
N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715412
N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715581
N-[[6-(3-acetamidopyridine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012527
N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012653
N-[[6-(1-carbamoylpiperidine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715806
N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118621393
N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90011744
N-[[6-[2-(tert-butylamino)-2-oxoacetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715524

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 130290308) is N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is C#Cc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cn1.
What is the InChIKey of N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GVVNSKVTSOTRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-19-4-3-17(13-26-19)23(30)28-9-6-24(7-10-28)12-18(24)14-27-22(29)20-11-16-5-8-25-15-21(16)31-20/h1,3-5,8,11,13,15,18H,6-7,9-10,12,14H2,(H,27,29).
What are the key properties of N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 130290308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).