2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

C21H29N3O4 — CID 16659780

IUPAC2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCOc1ccc2c(n1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1
InChIInChI=1S/C21H29N3O4/c1-23(13-14-24-11-3-4-12-24)19(25)15-7-9-21(10-8-15)16-5-6-17(27-2)22-18(16)20(26)28-21/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyYBCRCZPNNXFEPK-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.20
Rot. Bonds5

About 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (PubChem CID 16659780) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.

Molecular Properties

Compound Name2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
PubChem CID16659780
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCOc1ccc2c(n1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1
InChIInChI=1S/C21H29N3O4/c1-23(13-14-24-11-3-4-12-24)19(25)15-7-9-21(10-8-15)16-5-6-17(27-2)22-18(16)20(26)28-21/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyYBCRCZPNNXFEPK-UHFFFAOYSA-N
XLogP2.20
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The IUPAC name of 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (CID 16659780) is 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.
What is the SMILES notation for 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The canonical SMILES for 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is COc1ccc2c(n1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1.
What is the InChIKey of 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The InChIKey is YBCRCZPNNXFEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-23(13-14-24-11-3-4-12-24)19(25)15-7-9-21(10-8-15)16-5-6-17(27-2)22-18(16)20(26)28-21/h5-6,15H,3-4,7-14H2,1-2H3.
What are the key properties of 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxy-N-methyl-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is sourced from PubChem (CID 16659780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).