2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid

C12H18N4O3 — CID 114194951

IUPAC2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid
SMILESCCCNC(=O)C(C)Nc1cnc(N)cc1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-3-4-14-11(17)7(2)16-9-6-15-10(13)5-8(9)12(18)19/h5-7,16H,3-4H2,1-2H3,(H2,13,15)(H,14,17)(H,18,19)
InChIKeyXMNFHATYOYRGAA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.69
Rot. Bonds6

About 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid

2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid (PubChem CID 114194951) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid
PubChem CID114194951
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid
SMILESCCCNC(=O)C(C)Nc1cnc(N)cc1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-3-4-14-11(17)7(2)16-9-6-15-10(13)5-8(9)12(18)19/h5-7,16H,3-4H2,1-2H3,(H2,13,15)(H,14,17)(H,18,19)
InChIKeyXMNFHATYOYRGAA-UHFFFAOYSA-N
XLogP0.69
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid (CID 114194951) is 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid is CCCNC(=O)C(C)Nc1cnc(N)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is XMNFHATYOYRGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-4-14-11(17)7(2)16-9-6-15-10(13)5-8(9)12(18)19/h5-7,16H,3-4H2,1-2H3,(H2,13,15)(H,14,17)(H,18,19).
What are the key properties of 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid?
2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114194951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).