N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C26H25F3N6O5 — CID 166833562

IUPACN-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(C(F)(F)F)cn(C[C@@H]5COCCO5)c4=O)n(C)c3c2)ccn1
InChIInChI=1S/C26H25F3N6O5/c1-15(36)31-23-11-18(5-6-30-23)40-17-3-4-20-22(10-17)34(2)25(32-20)33-21-9-16(26(27,28)29)12-35(24(21)37)13-19-14-38-7-8-39-19/h3-6,9-12,19H,7-8,13-14H2,1-2H3,(H,32,33)(H,30,31,36)/t19-/m1/s1
InChIKeySPPNJKXLYSLZGG-LJQANCHMSA-N
MW558.52 g/mol
LogP4.06
Rot. Bonds7

About N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 166833562) has the molecular formula C26H25F3N6O5 and a molecular weight of 558.52 g/mol. Its IUPAC name is N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID166833562
Molecular FormulaC26H25F3N6O5
Molecular Weight558.52 g/mol
Exact Mass558.18
IUPAC NameN-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(C(F)(F)F)cn(C[C@@H]5COCCO5)c4=O)n(C)c3c2)ccn1
InChIInChI=1S/C26H25F3N6O5/c1-15(36)31-23-11-18(5-6-30-23)40-17-3-4-20-22(10-17)34(2)25(32-20)33-21-9-16(26(27,28)29)12-35(24(21)37)13-19-14-38-7-8-39-19/h3-6,9-12,19H,7-8,13-14H2,1-2H3,(H,32,33)(H,30,31,36)/t19-/m1/s1
InChIKeySPPNJKXLYSLZGG-LJQANCHMSA-N
XLogP4.06
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 166833562) is N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(C(F)(F)F)cn(C[C@@H]5COCCO5)c4=O)n(C)c3c2)ccn1.
What is the InChIKey of N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is SPPNJKXLYSLZGG-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25F3N6O5/c1-15(36)31-23-11-18(5-6-30-23)40-17-3-4-20-22(10-17)34(2)25(32-20)33-21-9-16(26(27,28)29)12-35(24(21)37)13-19-14-38-7-8-39-19/h3-6,9-12,19H,7-8,13-14H2,1-2H3,(H,32,33)(H,30,31,36)/t19-/m1/s1.
What are the key properties of N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 558.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 166833562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).