N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide

C20H26N4O2 — CID 97420664

IUPACN-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)n1
InChIInChI=1S/C20H26N4O2/c1-15-5-3-6-17(22-15)10-24-9-16-11-26-14-20(16,13-24)12-21-19(25)18-7-4-8-23(18)2/h3-8,16H,9-14H2,1-2H3,(H,21,25)/t16-,20+/m1/s1
InChIKeyJSQYCPXCXSLFIU-UZLBHIALSA-N
MW354.45 g/mol
LogP1.61
Rot. Bonds5

About N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97420664) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID97420664
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)n1
InChIInChI=1S/C20H26N4O2/c1-15-5-3-6-17(22-15)10-24-9-16-11-26-14-20(16,13-24)12-21-19(25)18-7-4-8-23(18)2/h3-8,16H,9-14H2,1-2H3,(H,21,25)/t16-,20+/m1/s1
InChIKeyJSQYCPXCXSLFIU-UZLBHIALSA-N
XLogP1.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 97420664) is N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide is Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)n1.
What is the InChIKey of N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is JSQYCPXCXSLFIU-UZLBHIALSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-5-3-6-17(22-15)10-24-9-16-11-26-14-20(16,13-24)12-21-19(25)18-7-4-8-23(18)2/h3-8,16H,9-14H2,1-2H3,(H,21,25)/t16-,20+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97420664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).