N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C24H30N4O4 — CID 90011683

IUPACN-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C24H30N4O4/c1-15(2)22(30)28-13-17(14-28)23(31)27-7-4-24(5-8-27)10-18(24)11-26-21(29)19-9-16-3-6-25-12-20(16)32-19/h3,6,9,12,15,17-18H,4-5,7-8,10-11,13-14H2,1-2H3,(H,26,29)
InChIKeyYJRDRKVNPODLSD-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.30
Rot. Bonds5

About N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90011683) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90011683
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C24H30N4O4/c1-15(2)22(30)28-13-17(14-28)23(31)27-7-4-24(5-8-27)10-18(24)11-26-21(29)19-9-16-3-6-25-12-20(16)32-19/h3,6,9,12,15,17-18H,4-5,7-8,10-11,13-14H2,1-2H3,(H,26,29)
InChIKeyYJRDRKVNPODLSD-UHFFFAOYSA-N
XLogP2.30
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90011683) is N-[[6-[1-(2-methylpropanoyl)azetidine-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-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(C)C(=O)N1CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1.
What is the InChIKey of N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YJRDRKVNPODLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-15(2)22(30)28-13-17(14-28)23(31)27-7-4-24(5-8-27)10-18(24)11-26-21(29)19-9-16-3-6-25-12-20(16)32-19/h3,6,9,12,15,17-18H,4-5,7-8,10-11,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(2-methylpropanoyl)azetidine-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90011683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).