N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C20H27N3O2 — CID 94121472

IUPACN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c(C)n1Cc1ccco1
InChIInChI=1S/C20H27N3O2/c1-14-12-17(15(2)23(14)13-16-6-5-11-25-16)20(24)21-18-8-10-22-9-4-3-7-19(18)22/h5-6,11-12,18-19H,3-4,7-10,13H2,1-2H3,(H,21,24)/t18-,19+/m0/s1
InChIKeyQVRJZJGYPSENQH-RBUKOAKNSA-N
MW341.46 g/mol
LogP3.10
Rot. Bonds4

About N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 94121472) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID94121472
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c(C)n1Cc1ccco1
InChIInChI=1S/C20H27N3O2/c1-14-12-17(15(2)23(14)13-16-6-5-11-25-16)20(24)21-18-8-10-22-9-4-3-7-19(18)22/h5-6,11-12,18-19H,3-4,7-10,13H2,1-2H3,(H,21,24)/t18-,19+/m0/s1
InChIKeyQVRJZJGYPSENQH-RBUKOAKNSA-N
XLogP3.10
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]furan-2-carboxamide
CID 94121408
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731980
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9442872
N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 56521315
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732161

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 94121472) is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c(C)n1Cc1ccco1.
What is the InChIKey of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is QVRJZJGYPSENQH-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-12-17(15(2)23(14)13-16-6-5-11-25-16)20(24)21-18-8-10-22-9-4-3-7-19(18)22/h5-6,11-12,18-19H,3-4,7-10,13H2,1-2H3,(H,21,24)/t18-,19+/m0/s1.
What are the key properties of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 94121472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).