N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide

C23H26FN3O3 — CID 166195405

IUPACN'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide
SMILESO=C(NCc1ccc(Oc2cccnc2)c(F)c1)C(=O)NC1CCC2CCCC2C1
InChIInChI=1S/C23H26FN3O3/c24-20-11-15(6-9-21(20)30-19-5-2-10-25-14-19)13-26-22(28)23(29)27-18-8-7-16-3-1-4-17(16)12-18/h2,5-6,9-11,14,16-18H,1,3-4,7-8,12-13H2,(H,26,28)(H,27,29)
InChIKeyXADPOEJQOBDVAK-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.71
Rot. Bonds5

About N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide

N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide (PubChem CID 166195405) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide
PubChem CID166195405
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide
SMILESO=C(NCc1ccc(Oc2cccnc2)c(F)c1)C(=O)NC1CCC2CCCC2C1
InChIInChI=1S/C23H26FN3O3/c24-20-11-15(6-9-21(20)30-19-5-2-10-25-14-19)13-26-22(28)23(29)27-18-8-7-16-3-1-4-17(16)12-18/h2,5-6,9-11,14,16-18H,1,3-4,7-8,12-13H2,(H,26,28)(H,27,29)
InChIKeyXADPOEJQOBDVAK-UHFFFAOYSA-N
XLogP3.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide with MolForge

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Related Compounds

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119864556
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126772649
(4S)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylazepane-1-carboxamide
CID 97023620
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 86843995
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3,5-dinitrobenzamide
CID 47739998
(3S)-1-cyclopropyl-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95192686
tert-butyl 3-[[N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109466376
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864547
1-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 110952626
5-chloro-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-nitrobenzamide
CID 60586646

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide (CID 166195405) is N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide is O=C(NCc1ccc(Oc2cccnc2)c(F)c1)C(=O)NC1CCC2CCCC2C1.
What is the InChIKey of N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide?
The InChIKey is XADPOEJQOBDVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c24-20-11-15(6-9-21(20)30-19-5-2-10-25-14-19)13-26-22(28)23(29)27-18-8-7-16-3-1-4-17(16)12-18/h2,5-6,9-11,14,16-18H,1,3-4,7-8,12-13H2,(H,26,28)(H,27,29).
What are the key properties of N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide?
N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide has a molecular weight of 411.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]oxamide is sourced from PubChem (CID 166195405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).