methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate

C12H19N3O2 — CID 113292407

IUPACmethyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
SMILESCCC(Nc1ccc(N(C)C)nc1)C(=O)OC
InChIInChI=1S/C12H19N3O2/c1-5-10(12(16)17-4)14-9-6-7-11(13-8-9)15(2)3/h6-8,10,14H,5H2,1-4H3
InChIKeyKFXWTRATRWILIX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds5

About methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate

methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate (PubChem CID 113292407) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
PubChem CID113292407
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
SMILESCCC(Nc1ccc(N(C)C)nc1)C(=O)OC
InChIInChI=1S/C12H19N3O2/c1-5-10(12(16)17-4)14-9-6-7-11(13-8-9)15(2)3/h6-8,10,14H,5H2,1-4H3
InChIKeyKFXWTRATRWILIX-UHFFFAOYSA-N
XLogP1.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate
CID 115352651
methyl (2R)-2-anilinobutanoate
CID 51891380
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
methyl 2-[4-(methoxycarbonylamino)anilino]butanoate
CID 115352842
ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
CID 82316783
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
methyl 2-[[4-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 115352484
5-N-(1-aminopropan-2-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 103388254
methyl 2-(4-methylsulfonylanilino)butanoate
CID 113292297
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
CID 62838640
2-N,2-N-dimethyl-5-N-pentan-2-ylpyridine-2,5-diamine
CID 43690557
methyl 2-[4-(ethylcarbamoyl)anilino]butanoate
CID 115352826

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate?
The IUPAC name of methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate (CID 113292407) is methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate?
The canonical SMILES for methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate is CCC(Nc1ccc(N(C)C)nc1)C(=O)OC.
What is the InChIKey of methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate?
The InChIKey is KFXWTRATRWILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-10(12(16)17-4)14-9-6-7-11(13-8-9)15(2)3/h6-8,10,14H,5H2,1-4H3.
What are the key properties of methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate?
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate is sourced from PubChem (CID 113292407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).