N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide

C20H26N2O3 — CID 74822414

IUPACN-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide
SMILESCC1OC(=O)C2CC3CCCCC3C(CNC(=O)c3ccccn3)C12
InChIInChI=1S/C20H26N2O3/c1-12-18-15(20(24)25-12)10-13-6-2-3-7-14(13)16(18)11-22-19(23)17-8-4-5-9-21-17/h4-5,8-9,12-16,18H,2-3,6-7,10-11H2,1H3,(H,22,23)
InChIKeyLUCPQRGINQGEGO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.82
Rot. Bonds3

About N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide

N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 74822414) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide
PubChem CID74822414
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide
SMILESCC1OC(=O)C2CC3CCCCC3C(CNC(=O)c3ccccn3)C12
InChIInChI=1S/C20H26N2O3/c1-12-18-15(20(24)25-12)10-13-6-2-3-7-14(13)16(18)11-22-19(23)17-8-4-5-9-21-17/h4-5,8-9,12-16,18H,2-3,6-7,10-11H2,1H3,(H,22,23)
InChIKeyLUCPQRGINQGEGO-UHFFFAOYSA-N
XLogP2.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide (CID 74822414) is N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide is CC1OC(=O)C2CC3CCCCC3C(CNC(=O)c3ccccn3)C12.
What is the InChIKey of N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is LUCPQRGINQGEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12-18-15(20(24)25-12)10-13-6-2-3-7-14(13)16(18)11-22-19(23)17-8-4-5-9-21-17/h4-5,8-9,12-16,18H,2-3,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide?
N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 74822414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).