5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

C10H13N3O3 — CID 104638813

IUPAC5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-6(9(14)11-2)13-7-3-4-8(10(15)16)12-5-7/h3-6,13H,1-2H3,(H,11,14)(H,15,16)
InChIKeyJNDPSZHIIGTKKC-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.33
Rot. Bonds4

About 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 104638813) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID104638813
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-6(9(14)11-2)13-7-3-4-8(10(15)16)12-5-7/h3-6,13H,1-2H3,(H,11,14)(H,15,16)
InChIKeyJNDPSZHIIGTKKC-UHFFFAOYSA-N
XLogP0.33
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
5-acetamidopyridine-2-carboxylic acid
CID 5278292
N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
CID 62545034
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid
CID 114806806
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (CID 104638813) is 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is CNC(=O)C(C)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is JNDPSZHIIGTKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(9(14)11-2)13-7-3-4-8(10(15)16)12-5-7/h3-6,13H,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).