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

C12H18N2O2 — CID 62240571

IUPAC6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
SMILESCCC(C)C(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O2/c1-4-8(2)9(3)13-11-7-5-6-10(14-11)12(15)16/h5-9H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGIHSXCLXFJLXAR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.63
Rot. Bonds5

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

6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 62240571) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID62240571
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
SMILESCCC(C)C(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O2/c1-4-8(2)9(3)13-11-7-5-6-10(14-11)12(15)16/h5-9H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGIHSXCLXFJLXAR-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid
CID 61464059
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
6-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 63961953
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057196
6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
CID 122049018

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid (CID 62240571) is 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid is CCC(C)C(C)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is GIHSXCLXFJLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-8(2)9(3)13-11-7-5-6-10(14-11)12(15)16/h5-9H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid?
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62240571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).