3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid

C15H25N3O2 — CID 82310226

IUPAC3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid
SMILESCC(C)CC(Nc1ccc(N(C)C)nc1)C(C)C(=O)O
InChIInChI=1S/C15H25N3O2/c1-10(2)8-13(11(3)15(19)20)17-12-6-7-14(16-9-12)18(4)5/h6-7,9-11,13,17H,8H2,1-5H3,(H,19,20)
InChIKeyMICSZRNNZXWFGU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.69
Rot. Bonds7

About 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid

3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid (PubChem CID 82310226) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid
PubChem CID82310226
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid
SMILESCC(C)CC(Nc1ccc(N(C)C)nc1)C(C)C(=O)O
InChIInChI=1S/C15H25N3O2/c1-10(2)8-13(11(3)15(19)20)17-12-6-7-14(16-9-12)18(4)5/h6-7,9-11,13,17H,8H2,1-5H3,(H,19,20)
InChIKeyMICSZRNNZXWFGU-UHFFFAOYSA-N
XLogP2.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methylhex-5-enoic acid
CID 82309792
3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid
CID 82309723
5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690375
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
2-N,2-N-dimethyl-5-N-(3-methylbutyl)pyridine-2,5-diamine
CID 43690493
5-N-(1-aminopropan-2-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 103388254
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
2-N,2-N-dimethyl-5-N-pentan-2-ylpyridine-2,5-diamine
CID 43690557
1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473738
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
CID 62838640
2-N,2-N-dimethyl-5-N-(3-methyl-2-phenylbutyl)pyridine-2,5-diamine
CID 107875950
4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
CID 64894459

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid?
The IUPAC name of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid (CID 82310226) is 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid.
What is the SMILES notation for 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid?
The canonical SMILES for 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid is CC(C)CC(Nc1ccc(N(C)C)nc1)C(C)C(=O)O.
What is the InChIKey of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid?
The InChIKey is MICSZRNNZXWFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)8-13(11(3)15(19)20)17-12-6-7-14(16-9-12)18(4)5/h6-7,9-11,13,17H,8H2,1-5H3,(H,19,20).
What are the key properties of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid?
3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid is sourced from PubChem (CID 82310226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).