6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

C11H15N3O3 — CID 55053417

IUPAC6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(Nc1cccc(C(=O)O)n1)C(=O)N(C)C
InChIInChI=1S/C11H15N3O3/c1-7(10(15)14(2)3)12-9-6-4-5-8(13-9)11(16)17/h4-7H,1-3H3,(H,12,13)(H,16,17)
InChIKeySGOJYVXHYXFRSE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.67
Rot. Bonds4

About 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 55053417) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID55053417
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(Nc1cccc(C(=O)O)n1)C(=O)N(C)C
InChIInChI=1S/C11H15N3O3/c1-7(10(15)14(2)3)12-9-6-4-5-8(13-9)11(16)17/h4-7H,1-3H3,(H,12,13)(H,16,17)
InChIKeySGOJYVXHYXFRSE-UHFFFAOYSA-N
XLogP0.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057196
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 64829483
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 62238868
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 54950923
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498285

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (CID 55053417) is 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is CC(Nc1cccc(C(=O)O)n1)C(=O)N(C)C.
What is the InChIKey of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is SGOJYVXHYXFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(10(15)14(2)3)12-9-6-4-5-8(13-9)11(16)17/h4-7H,1-3H3,(H,12,13)(H,16,17).
What are the key properties of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 55053417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).