2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide

C15H23N3O2 — CID 79151015

IUPAC2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(C)nc1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-4-16-15(19)11(3)20-14-8-5-10(2)18-13(14)9-17-12-6-7-12/h5,8,11-12,17H,4,6-7,9H2,1-3H3,(H,16,19)
InChIKeyYUGUNOCGKOEOFR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds7

About 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide

2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide (PubChem CID 79151015) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
PubChem CID79151015
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(C)nc1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-4-16-15(19)11(3)20-14-8-5-10(2)18-13(14)9-17-12-6-7-12/h5,8,11-12,17H,4,6-7,9H2,1-3H3,(H,16,19)
InChIKeyYUGUNOCGKOEOFR-UHFFFAOYSA-N
XLogP1.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
The IUPAC name of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide (CID 79151015) is 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc(C)nc1CNC1CC1.
What is the InChIKey of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
The InChIKey is YUGUNOCGKOEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-16-15(19)11(3)20-14-8-5-10(2)18-13(14)9-17-12-6-7-12/h5,8,11-12,17H,4,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide is sourced from PubChem (CID 79151015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).