6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid

C20H18F2N4O2 — CID 59399400

IUPAC6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(C)N(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H18F2N4O2/c1-20(2,3)26(17-9-5-7-14(24-17)19(27)28)16-8-4-6-13(23-16)12-10-11-15(21)25-18(12)22/h4-11H,1-3H3,(H,27,28)
InChIKeyJJKVMHDYNYEJIM-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.45
Rot. Bonds4

About 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid

6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid (PubChem CID 59399400) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
PubChem CID59399400
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(C)N(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H18F2N4O2/c1-20(2,3)26(17-9-5-7-14(24-17)19(27)28)16-8-4-6-13(23-16)12-10-11-15(21)25-18(12)22/h4-11H,1-3H3,(H,27,28)
InChIKeyJJKVMHDYNYEJIM-UHFFFAOYSA-N
XLogP4.45
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10513493, Example 20
CID 118301993
6-(4-Methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 68329573
US10513493, Example 26
CID 118302022
5,7-Bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
CID 66545152
6-[[2-(Dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
6-[[(2S)-2-hydroxy-3-phenylpropyl]-methylamino]pyridine-2-carboxylic acid
CID 164634556
6-{4-[6-(4-Fluoro-phenyl)-2-(2-(R)-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3-(R)-methyl-piperazin-1-yl}-5-methyl-pyridine-2-carboxylic acid
CID 11562238
7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic Acid
CID 11630097
6-Amino-3-(3-fluorophenyl)picolinic acid
CID 46314200
6-[2-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 58444383
6-[2-[6-(2,4-Difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 58640753
6-[3-(Trifluoromethyl)anilino]-2-pyridinecarboxylic acid
CID 62253573

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid (CID 59399400) is 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid is CC(C)(C)N(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The InChIKey is JJKVMHDYNYEJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-20(2,3)26(17-9-5-7-14(24-17)19(27)28)16-8-4-6-13(23-16)12-10-11-15(21)25-18(12)22/h4-11H,1-3H3,(H,27,28).
What are the key properties of 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid has a molecular weight of 384.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 59399400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).