5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

C13H20N4O3 — CID 114407683

IUPAC5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H20N4O3/c1-4-17(5-2)12(18)8(3)15-11-9(14)6-7-10(16-11)13(19)20/h6-8H,4-5,14H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyUYXJMDLDEDCTKW-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.03
Rot. Bonds6

About 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 114407683) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID114407683
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H20N4O3/c1-4-17(5-2)12(18)8(3)15-11-9(14)6-7-10(16-11)13(19)20/h6-8H,4-5,14H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyUYXJMDLDEDCTKW-UHFFFAOYSA-N
XLogP1.03
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 114407679
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
5-amino-6-(butan-2-ylamino)pyridine-2-carboxamide
CID 114404937
2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
CID 113408308
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
CID 114133278
2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 114073557
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid
CID 114405911

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (CID 114407683) is 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is CCN(CC)C(=O)C(C)Nc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is UYXJMDLDEDCTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-17(5-2)12(18)8(3)15-11-9(14)6-7-10(16-11)13(19)20/h6-8H,4-5,14H2,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114407683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).