5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid

C12H17N3O3 — CID 104638820

IUPAC5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCCCNC(=O)C(C)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H17N3O3/c1-3-6-13-11(16)8(2)15-9-4-5-10(12(17)18)14-7-9/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyZATHNYUSGUOWBR-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.11
Rot. Bonds6

About 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid

5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 104638820) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID104638820
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCCCNC(=O)C(C)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H17N3O3/c1-3-6-13-11(16)8(2)15-9-4-5-10(12(17)18)14-7-9/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyZATHNYUSGUOWBR-UHFFFAOYSA-N
XLogP1.11
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.11
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-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
2-[(5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 61480003
methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
CID 114059751

Frequently Asked Questions

What is the IUPAC name of 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid (CID 104638820) is 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid is CCCNC(=O)C(C)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is ZATHNYUSGUOWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-6-13-11(16)8(2)15-9-4-5-10(12(17)18)14-7-9/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).