4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide

C12H19N3O2 — CID 62100009

IUPAC4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide
SMILESCc1ccc(OCCCC(=O)N(C)C)c(N)n1
InChIInChI=1S/C12H19N3O2/c1-9-6-7-10(12(13)14-9)17-8-4-5-11(16)15(2)3/h6-7H,4-5,8H2,1-3H3,(H2,13,14)
InChIKeyCOZKKSWCZKIQCM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds5

About 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide

4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide (PubChem CID 62100009) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide
PubChem CID62100009
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide
SMILESCc1ccc(OCCCC(=O)N(C)C)c(N)n1
InChIInChI=1S/C12H19N3O2/c1-9-6-7-10(12(13)14-9)17-8-4-5-11(16)15(2)3/h6-7H,4-5,8H2,1-3H3,(H2,13,14)
InChIKeyCOZKKSWCZKIQCM-UHFFFAOYSA-N
XLogP1.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 62098307
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-ethyl-N-methylacetamide
CID 62097636
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide
CID 79158444
3-(3-fluoropropoxy)-6-methylpyridin-2-amine
CID 81105677
3-ethoxy-6-methylpyridin-2-amine
CID 54057030
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile
CID 62098645
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-cyclopropyl-N-ethylacetamide
CID 62097639
4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide
CID 65101759
4-[4-(dimethylamino)-4-oxobutoxy]-2,3-dimethylbenzenesulfonyl chloride
CID 82912541

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide (CID 62100009) is 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide is Cc1ccc(OCCCC(=O)N(C)C)c(N)n1.
What is the InChIKey of 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
The InChIKey is COZKKSWCZKIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-7-10(12(13)14-9)17-8-4-5-11(16)15(2)3/h6-7H,4-5,8H2,1-3H3,(H2,13,14).
What are the key properties of 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 62100009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).