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

C13H21N3O2 — CID 79151234

IUPAC3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
SMILESCc1ccc(OCCC(N)=O)c(CNC(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)15-8-11-12(5-4-10(3)16-11)18-7-6-13(14)17/h4-5,9,15H,6-8H2,1-3H3,(H2,14,17)
InChIKeyKPDSIAXDPGHGLA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds7

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

3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide (PubChem CID 79151234) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
PubChem CID79151234
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
SMILESCc1ccc(OCCC(N)=O)c(CNC(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)15-8-11-12(5-4-10(3)16-11)18-7-6-13(14)17/h4-5,9,15H,6-8H2,1-3H3,(H2,14,17)
InChIKeyKPDSIAXDPGHGLA-UHFFFAOYSA-N
XLogP1.14
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide 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

methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79151614
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79158097
3-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79151271
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
N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine
CID 113374142
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79262670
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
N-[[6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79150848
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide?
The IUPAC name of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide (CID 79151234) is 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide.
What is the SMILES notation for 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide?
The canonical SMILES for 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide is Cc1ccc(OCCC(N)=O)c(CNC(C)C)n1.
What is the InChIKey of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide?
The InChIKey is KPDSIAXDPGHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)15-8-11-12(5-4-10(3)16-11)18-7-6-13(14)17/h4-5,9,15H,6-8H2,1-3H3,(H2,14,17).
What are the key properties of 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide?
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.14, 7 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]propanamide is sourced from PubChem (CID 79151234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).