6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid

C14H22N2O2 — CID 62240234

IUPAC6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(C)(C)CC(C)(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)9-14(4,5)16-11-8-6-7-10(15-11)12(17)18/h6-8H,9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyJDUMDAPKNDBXST-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.41
Rot. Bonds4

About 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid

6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 62240234) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID62240234
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(C)(C)CC(C)(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)9-14(4,5)16-11-8-6-7-10(15-11)12(17)18/h6-8H,9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyJDUMDAPKNDBXST-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid (CID 62240234) is 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid is CC(C)(C)CC(C)(C)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is JDUMDAPKNDBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,3)9-14(4,5)16-11-8-6-7-10(15-11)12(17)18/h6-8H,9H2,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid?
6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62240234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).