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

C13H19N3O3 — CID 104638991

IUPAC5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)nc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-8(11(17)16-13(2,3)4)15-9-5-6-10(12(18)19)14-7-9/h5-8,15H,1-4H3,(H,16,17)(H,18,19)
InChIKeyHXZLITUJTWWSAM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.49
Rot. Bonds4

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

5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 104638991) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID104638991
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)nc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-8(11(17)16-13(2,3)4)15-9-5-6-10(12(18)19)14-7-9/h5-8,15H,1-4H3,(H,16,17)(H,18,19)
InChIKeyHXZLITUJTWWSAM-UHFFFAOYSA-N
XLogP1.49
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
CID 113464422
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (CID 104638991) is 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is CC(Nc1ccc(C(=O)O)nc1)C(=O)NC(C)(C)C.
What is the InChIKey of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is HXZLITUJTWWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(11(17)16-13(2,3)4)15-9-5-6-10(12(18)19)14-7-9/h5-8,15H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).