1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

C20H25N3O3 — CID 118741160

IUPAC1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCc1occc1C(=O)N1CCC2(CCC2NC(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C20H25N3O3/c1-14-16(5-12-26-14)19(25)23-10-7-20(8-11-23)6-3-17(20)21-18(24)15-4-9-22(2)13-15/h4-5,9,12-13,17H,3,6-8,10-11H2,1-2H3,(H,21,24)
InChIKeyMUMPYJZEBQXLRW-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds3

About 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (PubChem CID 118741160) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
PubChem CID118741160
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCc1occc1C(=O)N1CCC2(CCC2NC(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C20H25N3O3/c1-14-16(5-12-26-14)19(25)23-10-7-20(8-11-23)6-3-17(20)21-18(24)15-4-9-22(2)13-15/h4-5,9,12-13,17H,3,6-8,10-11H2,1-2H3,(H,21,24)
InChIKeyMUMPYJZEBQXLRW-UHFFFAOYSA-N
XLogP2.74
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (CID 118741160) is 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is Cc1occc1C(=O)N1CCC2(CCC2NC(=O)c2ccn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The InChIKey is MUMPYJZEBQXLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-16(5-12-26-14)19(25)23-10-7-20(8-11-23)6-3-17(20)21-18(24)15-4-9-22(2)13-15/h4-5,9,12-13,17H,3,6-8,10-11H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[7-(2-methylfuran-3-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 118741160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).