5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid

C14H24N4O2 — CID 114404985

IUPAC5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCC(C)N(CCNc1nc(C(=O)O)ccc1N)C(C)C
InChIInChI=1S/C14H24N4O2/c1-9(2)18(10(3)4)8-7-16-13-11(15)5-6-12(17-13)14(19)20/h5-6,9-10H,7-8,15H2,1-4H3,(H,16,17)(H,19,20)
InChIKeyXVARBFJKRSWQKL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.89
Rot. Bonds7

About 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid

5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid (PubChem CID 114404985) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
PubChem CID114404985
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCC(C)N(CCNc1nc(C(=O)O)ccc1N)C(C)C
InChIInChI=1S/C14H24N4O2/c1-9(2)18(10(3)4)8-7-16-13-11(15)5-6-12(17-13)14(19)20/h5-6,9-10H,7-8,15H2,1-4H3,(H,16,17)(H,19,20)
InChIKeyXVARBFJKRSWQKL-UHFFFAOYSA-N
XLogP1.89
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
CID 114133278
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid (CID 114404985) is 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid is CC(C)N(CCNc1nc(C(=O)O)ccc1N)C(C)C.
What is the InChIKey of 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is XVARBFJKRSWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)18(10(3)4)8-7-16-13-11(15)5-6-12(17-13)14(19)20/h5-6,9-10H,7-8,15H2,1-4H3,(H,16,17)(H,19,20).
What are the key properties of 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114404985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).