2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C21H24N6O4 — CID 86268877

IUPAC2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCOC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C21H24N6O4/c1-13-17(31-15-8-9-22-16(10-15)14-11-23-27(4)12-14)6-7-18(24-13)25-20(29)26-19(28)21(2,3)30-5/h6-12H,1-5H3,(H2,24,25,26,28,29)
InChIKeyQGLUQQCIZIEJHF-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.05
Rot. Bonds6

About 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 86268877) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID86268877
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCOC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C21H24N6O4/c1-13-17(31-15-8-9-22-16(10-15)14-11-23-27(4)12-14)6-7-18(24-13)25-20(29)26-19(28)21(2,3)30-5/h6-12H,1-5H3,(H2,24,25,26,28,29)
InChIKeyQGLUQQCIZIEJHF-UHFFFAOYSA-N
XLogP3.05
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 86268877) is 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1.
What is the InChIKey of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is QGLUQQCIZIEJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-13-17(31-15-8-9-22-16(10-15)14-11-23-27(4)12-14)6-7-18(24-13)25-20(29)26-19(28)21(2,3)30-5/h6-12H,1-5H3,(H2,24,25,26,28,29).
What are the key properties of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 424.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 86268877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).