6-(pentan-3-ylamino)pyridine-2-carboxylic acid

C11H16N2O2 — CID 62253565

IUPAC6-(pentan-3-ylamino)pyridine-2-carboxylic acid
SMILESCCC(CC)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O2/c1-3-8(4-2)12-10-7-5-6-9(13-10)11(14)15/h5-8H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBYBZPBZMMGWTDY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.38
Rot. Bonds5

About 6-(pentan-3-ylamino)pyridine-2-carboxylic acid

6-(pentan-3-ylamino)pyridine-2-carboxylic acid (PubChem CID 62253565) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(pentan-3-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(pentan-3-ylamino)pyridine-2-carboxylic acid
PubChem CID62253565
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-(pentan-3-ylamino)pyridine-2-carboxylic acid
SMILESCCC(CC)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O2/c1-3-8(4-2)12-10-7-5-6-9(13-10)11(14)15/h5-8H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBYBZPBZMMGWTDY-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid
CID 122054965
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057196
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876

Frequently Asked Questions

What is the IUPAC name of 6-(pentan-3-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(pentan-3-ylamino)pyridine-2-carboxylic acid (CID 62253565) is 6-(pentan-3-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(pentan-3-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(pentan-3-ylamino)pyridine-2-carboxylic acid is CCC(CC)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(pentan-3-ylamino)pyridine-2-carboxylic acid?
The InChIKey is BYBZPBZMMGWTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8(4-2)12-10-7-5-6-9(13-10)11(14)15/h5-8H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 6-(pentan-3-ylamino)pyridine-2-carboxylic acid?
6-(pentan-3-ylamino)pyridine-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentan-3-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62253565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).