2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid

C14H22N2O2 — CID 63839654

IUPAC2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
SMILESCCC(CC)C(C)Nc1nc(C)ccc1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-5-11(6-2)10(4)16-13-12(14(17)18)8-7-9(3)15-13/h7-8,10-11H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyHRGAJYLMTRQPDI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.32
Rot. Bonds6

About 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid

2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 63839654) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID63839654
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
SMILESCCC(CC)C(C)Nc1nc(C)ccc1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-5-11(6-2)10(4)16-13-12(14(17)18)8-7-9(3)15-13/h7-8,10-11H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyHRGAJYLMTRQPDI-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid (CID 63839654) is 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid is CCC(CC)C(C)Nc1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is HRGAJYLMTRQPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-11(6-2)10(4)16-13-12(14(17)18)8-7-9(3)15-13/h7-8,10-11H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 63839654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).