3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide

C16H27N3O2 — CID 79158097

IUPAC3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCCC(=O)NC(C)C)c(CNC(C)C)n1
InChIInChI=1S/C16H27N3O2/c1-11(2)17-10-14-15(7-6-13(5)19-14)21-9-8-16(20)18-12(3)4/h6-7,11-12,17H,8-10H2,1-5H3,(H,18,20)
InChIKeyYYKMDEPZXFBJHE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.18
Rot. Bonds8

About 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide

3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide (PubChem CID 79158097) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
PubChem CID79158097
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCCC(=O)NC(C)C)c(CNC(C)C)n1
InChIInChI=1S/C16H27N3O2/c1-11(2)17-10-14-15(7-6-13(5)19-14)21-9-8-16(20)18-12(3)4/h6-7,11-12,17H,8-10H2,1-5H3,(H,18,20)
InChIKeyYYKMDEPZXFBJHE-UHFFFAOYSA-N
XLogP2.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79151271
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79151234
methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79151614
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79150987
N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine
CID 113374142
5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile
CID 79151307
N-[[6-methyl-3-(2-phenylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79158258
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79169746
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79262670

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide (CID 79158097) is 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide is Cc1ccc(OCCC(=O)NC(C)C)c(CNC(C)C)n1.
What is the InChIKey of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
The InChIKey is YYKMDEPZXFBJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)17-10-14-15(7-6-13(5)19-14)21-9-8-16(20)18-12(3)4/h6-7,11-12,17H,8-10H2,1-5H3,(H,18,20).
What are the key properties of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 79158097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).