N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide

C20H25N3O2 — CID 126840576

IUPACN-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide
SMILESCn1ccc(CNC(=O)N2CC(c3ccccc3)C3COCCC32)c1
InChIInChI=1S/C20H25N3O2/c1-22-9-7-15(12-22)11-21-20(24)23-13-17(16-5-3-2-4-6-16)18-14-25-10-8-19(18)23/h2-7,9,12,17-19H,8,10-11,13-14H2,1H3,(H,21,24)
InChIKeyZEOXZGLKPXIKMH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.74
Rot. Bonds3

About N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide

N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide (PubChem CID 126840576) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide
PubChem CID126840576
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide
SMILESCn1ccc(CNC(=O)N2CC(c3ccccc3)C3COCCC32)c1
InChIInChI=1S/C20H25N3O2/c1-22-9-7-15(12-22)11-21-20(24)23-13-17(16-5-3-2-4-6-16)18-14-25-10-8-19(18)23/h2-7,9,12,17-19H,8,10-11,13-14H2,1H3,(H,21,24)
InChIKeyZEOXZGLKPXIKMH-UHFFFAOYSA-N
XLogP2.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide (CID 126840576) is N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide is Cn1ccc(CNC(=O)N2CC(c3ccccc3)C3COCCC32)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide?
The InChIKey is ZEOXZGLKPXIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-9-7-15(12-22)11-21-20(24)23-13-17(16-5-3-2-4-6-16)18-14-25-10-8-19(18)23/h2-7,9,12,17-19H,8,10-11,13-14H2,1H3,(H,21,24).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide?
N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide is sourced from PubChem (CID 126840576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).