5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide

C18H20N4O3 — CID 86730325

IUPAC5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(N)c3)c(OC(C)C)cc21
InChIInChI=1S/C18H20N4O3/c1-11(2)24-16-10-14-12(5-7-22(14)18(23)20-3)8-15(16)25-13-4-6-21-17(19)9-13/h4-11H,1-3H3,(H2,19,21)(H,20,23)
InChIKeyNMJNKRZHJAYKDK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.39
Rot. Bonds4

About 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide

5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide (PubChem CID 86730325) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide
PubChem CID86730325
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(N)c3)c(OC(C)C)cc21
InChIInChI=1S/C18H20N4O3/c1-11(2)24-16-10-14-12(5-7-22(14)18(23)20-3)8-15(16)25-13-4-6-21-17(19)9-13/h4-11H,1-3H3,(H2,19,21)(H,20,23)
InChIKeyNMJNKRZHJAYKDK-UHFFFAOYSA-N
XLogP3.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide?
The IUPAC name of 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide (CID 86730325) is 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide.
What is the SMILES notation for 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide?
The canonical SMILES for 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(N)c3)c(OC(C)C)cc21.
What is the InChIKey of 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide?
The InChIKey is NMJNKRZHJAYKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)24-16-10-14-12(5-7-22(14)18(23)20-3)8-15(16)25-13-4-6-21-17(19)9-13/h4-11H,1-3H3,(H2,19,21)(H,20,23).
What are the key properties of 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide?
5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide is sourced from PubChem (CID 86730325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).