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

C21H22N4O4 — CID 90011744

IUPACN-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nocc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C21H22N4O4/c1-13-16(12-28-24-13)20(27)25-6-3-21(4-7-25)9-15(21)10-23-19(26)17-8-14-2-5-22-11-18(14)29-17/h2,5,8,11-12,15H,3-4,6-7,9-10H2,1H3,(H,23,26)
InChIKeyATXXLCMHLDUAKQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.80
Rot. Bonds4

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

N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90011744) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90011744
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nocc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C21H22N4O4/c1-13-16(12-28-24-13)20(27)25-6-3-21(4-7-25)9-15(21)10-23-19(26)17-8-14-2-5-22-11-18(14)29-17/h2,5,8,11-12,15H,3-4,6-7,9-10H2,1H3,(H,23,26)
InChIKeyATXXLCMHLDUAKQ-UHFFFAOYSA-N
XLogP2.80
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 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) is N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1nocc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ATXXLCMHLDUAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-16(12-28-24-13)20(27)25-6-3-21(4-7-25)9-15(21)10-23-19(26)17-8-14-2-5-22-11-18(14)29-17/h2,5,8,11-12,15H,3-4,6-7,9-10H2,1H3,(H,23,26).
What are the key properties of N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90011744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).