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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Related Compounds

2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114195177
5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 61478582
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
2-[(5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 61480003
2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 114195336
ethyl 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 61479176
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
2-[(5-methoxy-2-pyridinyl)amino]-N-propylpropanamide
CID 106504045
ethyl 4-amino-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 82776751
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
CID 114195062

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).