2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide

C13H21N3O2 — CID 43310961

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
SMILESCOc1c(C)cnc(CNCC(=O)N(C)C)c1C
InChIInChI=1S/C13H21N3O2/c1-9-6-15-11(10(2)13(9)18-5)7-14-8-12(17)16(3)4/h6,14H,7-8H2,1-5H3
InChIKeyJYTUXWHSFCVDTE-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.88
Rot. Bonds5

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide (PubChem CID 43310961) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
PubChem CID43310961
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
SMILESCOc1c(C)cnc(CNCC(=O)N(C)C)c1C
InChIInChI=1S/C13H21N3O2/c1-9-6-15-11(10(2)13(9)18-5)7-14-8-12(17)16(3)4/h6,14H,7-8H2,1-5H3
InChIKeyJYTUXWHSFCVDTE-UHFFFAOYSA-N
XLogP0.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
2-[[N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365894
benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane
CID 143729119
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572737
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 65106545
3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 28584690
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28568814
N'-cyclopropyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methylethane-1,2-diamine
CID 62977612
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide (CID 43310961) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide is COc1c(C)cnc(CNCC(=O)N(C)C)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide?
The InChIKey is JYTUXWHSFCVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-6-15-11(10(2)13(9)18-5)7-14-8-12(17)16(3)4/h6,14H,7-8H2,1-5H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).