3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide

C11H17N3O3 — CID 106112443

IUPAC3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(CN)OC)cn1
InChIInChI=1S/C11H17N3O3/c1-16-9(5-12)11(15)14-7-8-3-4-10(17-2)13-6-8/h3-4,6,9H,5,7,12H2,1-2H3,(H,14,15)
InChIKeyNSTGRXYEELVLNY-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.32
Rot. Bonds6

About 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide

3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 106112443) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID106112443
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(CN)OC)cn1
InChIInChI=1S/C11H17N3O3/c1-16-9(5-12)11(15)14-7-8-3-4-10(17-2)13-6-8/h3-4,6,9H,5,7,12H2,1-2H3,(H,14,15)
InChIKeyNSTGRXYEELVLNY-UHFFFAOYSA-N
XLogP-0.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
CID 106111827
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
CID 61275158
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 82239647
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide (CID 106112443) is 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide is COc1ccc(CNC(=O)C(CN)OC)cn1.
What is the InChIKey of 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is NSTGRXYEELVLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-9(5-12)11(15)14-7-8-3-4-10(17-2)13-6-8/h3-4,6,9H,5,7,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide?
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 239.28 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 106112443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).