3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide

C12H19N3O2 — CID 104998708

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNCC(C)(C)C(N)=O)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,11(13)16)8-14-6-9-4-5-10(17-3)15-7-9/h4-5,7,14H,6,8H2,1-3H3,(H2,13,16)
InChIKeyPDWKFKMYZUPEIG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds6

About 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide

3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide (PubChem CID 104998708) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
PubChem CID104998708
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNCC(C)(C)C(N)=O)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,11(13)16)8-14-6-9-4-5-10(17-3)15-7-9/h4-5,7,14H,6,8H2,1-3H3,(H2,13,16)
InChIKeyPDWKFKMYZUPEIG-UHFFFAOYSA-N
XLogP0.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114936828
5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
CID 115651922
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
CID 62990974
2-tert-butylsulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 105006850
(Z)-2-ethyl-4-[(6-methoxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 103250606

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide (CID 104998708) is 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide is COc1ccc(CNCC(C)(C)C(N)=O)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide?
The InChIKey is PDWKFKMYZUPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,11(13)16)8-14-6-9-4-5-10(17-3)15-7-9/h4-5,7,14H,6,8H2,1-3H3,(H2,13,16).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide?
3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 104998708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).