2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C23H25N5O4 — CID 86270456

IUPAC2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCOC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3ccnc(C)c3)c2)c(C)n1
InChIInChI=1S/C23H25N5O4/c1-14-12-16(8-10-24-14)18-13-17(9-11-25-18)32-19-6-7-20(26-15(19)2)27-22(30)28-21(29)23(3,4)31-5/h6-13H,1-5H3,(H2,26,27,28,29,30)
InChIKeyCANPTKDXQQAVKO-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.02
Rot. Bonds6

About 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 86270456) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID86270456
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCOC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3ccnc(C)c3)c2)c(C)n1
InChIInChI=1S/C23H25N5O4/c1-14-12-16(8-10-24-14)18-13-17(9-11-25-18)32-19-6-7-20(26-15(19)2)27-22(30)28-21(29)23(3,4)31-5/h6-13H,1-5H3,(H2,26,27,28,29,30)
InChIKeyCANPTKDXQQAVKO-UHFFFAOYSA-N
XLogP4.02
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 86270456) is 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3ccnc(C)c3)c2)c(C)n1.
What is the InChIKey of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is CANPTKDXQQAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14-12-16(8-10-24-14)18-13-17(9-11-25-18)32-19-6-7-20(26-15(19)2)27-22(30)28-21(29)23(3,4)31-5/h6-13H,1-5H3,(H2,26,27,28,29,30).
What are the key properties of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 435.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 86270456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).