5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid

C13H21N3O2 — CID 114406825

IUPAC5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
SMILESCCC(CC)(CC)Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-4-13(5-2,6-3)16-11-9(14)7-8-10(15-11)12(17)18/h7-8H,4-6,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyCFYVKBJVKZPCAN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.74
Rot. Bonds6

About 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid

5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid (PubChem CID 114406825) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
PubChem CID114406825
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
SMILESCCC(CC)(CC)Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-4-13(5-2,6-3)16-11-9(14)7-8-10(15-11)12(17)18/h7-8H,4-6,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyCFYVKBJVKZPCAN-UHFFFAOYSA-N
XLogP2.74
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine
CID 81131403
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
CID 114405447
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid
CID 65041396
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid (CID 114406825) is 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid is CCC(CC)(CC)Nc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid?
The InChIKey is CFYVKBJVKZPCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(5-2,6-3)16-11-9(14)7-8-10(15-11)12(17)18/h7-8H,4-6,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid?
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114406825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).