2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid

C50H62F3N7O14S — CID 159696697

IUPAC2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)ccn1.CC(C)c1ncc(C(=O)NCC(=O)O)cc1F.CC(C)c1ncc(C(=O)NCCS(=O)(=O)O)cc1F.CC(C)c1ncc(C(=O)O)cc1F.COc1ncc(C(=O)O)cc1C(C)C
InChIInChI=1S/C11H15FN2O4S.C11H13FN2O3.C10H13NO3.C9H10FNO2.C9H11NO2/c1-7(2)10-9(12)5-8(6-14-10)11(15)13-3-4-19(16,17)18;1-6(2)10-8(12)3-7(4-13-10)11(17)14-5-9(15)16;1-6(2)8-4-7(10(12)13)5-11-9(8)14-3;1-5(2)8-7(10)3-6(4-11-8)9(12)13;1-6(2)8-5-7(9(11)12)3-4-10-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,16,17,18);3-4,6H,5H2,1-2H3,(H,14,17)(H,15,16);4-6H,1-3H3,(H,12,13);3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12)
InChIKeyMXCHFQOUAQTDIY-UHFFFAOYSA-N
MW1074.14 g/mol
LogP7.98
Rot. Bonds16

About 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid

2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 159696697) has the molecular formula C50H62F3N7O14S and a molecular weight of 1074.14 g/mol. Its IUPAC name is 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
PubChem CID159696697
Molecular FormulaC50H62F3N7O14S
Molecular Weight1074.14 g/mol
Exact Mass1073.40
IUPAC Name2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)ccn1.CC(C)c1ncc(C(=O)NCC(=O)O)cc1F.CC(C)c1ncc(C(=O)NCCS(=O)(=O)O)cc1F.CC(C)c1ncc(C(=O)O)cc1F.COc1ncc(C(=O)O)cc1C(C)C
InChIInChI=1S/C11H15FN2O4S.C11H13FN2O3.C10H13NO3.C9H10FNO2.C9H11NO2/c1-7(2)10-9(12)5-8(6-14-10)11(15)13-3-4-19(16,17)18;1-6(2)10-8(12)3-7(4-13-10)11(17)14-5-9(15)16;1-6(2)8-4-7(10(12)13)5-11-9(8)14-3;1-5(2)8-7(10)3-6(4-11-8)9(12)13;1-6(2)8-5-7(9(11)12)3-4-10-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,16,17,18);3-4,6H,5H2,1-2H3,(H,14,17)(H,15,16);4-6H,1-3H3,(H,12,13);3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12)
InChIKeyMXCHFQOUAQTDIY-UHFFFAOYSA-N
XLogP7.98
TPSA335.45 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001074.14
LogP ≤ 57.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-6-methyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine-4-carboxylic acid;3-methoxy-2-methyl-6-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 161094966
Lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide
CID 158392229
2-[(5-Fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid
CID 158503732
2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate
CID 159183229
2-[(5-Fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
CID 159864219
2-[(5-Fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;3-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]propanoic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
CID 160318771
Lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide
CID 161018489
2-[(5-Fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;3-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]propanoic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
CID 161065760
Lithium;6-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide
CID 162124752

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid (CID 159696697) is 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)ccn1.CC(C)c1ncc(C(=O)NCC(=O)O)cc1F.CC(C)c1ncc(C(=O)NCCS(=O)(=O)O)cc1F.CC(C)c1ncc(C(=O)O)cc1F.COc1ncc(C(=O)O)cc1C(C)C.
What is the InChIKey of 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is MXCHFQOUAQTDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S.C11H13FN2O3.C10H13NO3.C9H10FNO2.C9H11NO2/c1-7(2)10-9(12)5-8(6-14-10)11(15)13-3-4-19(16,17)18;1-6(2)10-8(12)3-7(4-13-10)11(17)14-5-9(15)16;1-6(2)8-4-7(10(12)13)5-11-9(8)14-3;1-5(2)8-7(10)3-6(4-11-8)9(12)13;1-6(2)8-5-7(9(11)12)3-4-10-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,16,17,18);3-4,6H,5H2,1-2H3,(H,14,17)(H,15,16);4-6H,1-3H3,(H,12,13);3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12).
What are the key properties of 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 1074.14 g/mol, XLogP of 7.98, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 159696697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).