5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid

C13H22N4O2 — CID 81439291

IUPAC5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
SMILESCCN(CC)CCCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H22N4O2/c1-3-17(4-2)7-5-6-15-12-11(14)8-10(9-16-12)13(18)19/h8-9H,3-7,14H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyAQZRSDHXUMUORX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.51
Rot. Bonds8

About 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid

5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid (PubChem CID 81439291) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
PubChem CID81439291
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
SMILESCCN(CC)CCCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H22N4O2/c1-3-17(4-2)7-5-6-15-12-11(14)8-10(9-16-12)13(18)19/h8-9H,3-7,14H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyAQZRSDHXUMUORX-UHFFFAOYSA-N
XLogP1.51
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81439673
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid
CID 82469001
5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 103113348
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186890
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
CID 139900708
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439410
5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
CID 106028468
5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81438945
5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid (CID 81439291) is 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid is CCN(CC)CCCNc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
The InChIKey is AQZRSDHXUMUORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-17(4-2)7-5-6-15-12-11(14)8-10(9-16-12)13(18)19/h8-9H,3-7,14H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).