6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

C24H23N3O7S — CID 67765314

IUPAC6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(Oc2ccc(S(=O)(=O)C3CC3)cc2)n1
InChIInChI=1S/C24H23N3O7S/c1-14(2)33-21-11-16(23(28)26-20-10-3-15(13-25-20)24(29)30)12-22(27-21)34-17-4-6-18(7-5-17)35(31,32)19-8-9-19/h3-7,10-14,19H,8-9H2,1-2H3,(H,29,30)(H,25,26,28)
InChIKeyJSSCEUPTJIYATN-UHFFFAOYSA-N
MW497.53 g/mol
LogP3.94
Rot. Bonds9

About 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 67765314) has the molecular formula C24H23N3O7S and a molecular weight of 497.53 g/mol. Its IUPAC name is 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID67765314
Molecular FormulaC24H23N3O7S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Name6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(Oc2ccc(S(=O)(=O)C3CC3)cc2)n1
InChIInChI=1S/C24H23N3O7S/c1-14(2)33-21-11-16(23(28)26-20-10-3-15(13-25-20)24(29)30)12-22(27-21)34-17-4-6-18(7-5-17)35(31,32)19-8-9-19/h3-7,10-14,19H,8-9H2,1-2H3,(H,29,30)(H,25,26,28)
InChIKeyJSSCEUPTJIYATN-UHFFFAOYSA-N
XLogP3.94
TPSA144.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489827
6-[(2-methylsulfonyloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 87419927
6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489750
6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67765328
6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 143828094
6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 71496573
6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
CID 142197580
6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 143828092
methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 143828089
2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide
CID 143828066
methyl 6-[[2-[(1R)-1-phenylethoxy]-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 67765270
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 67765314) is 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(Oc2ccc(S(=O)(=O)C3CC3)cc2)n1.
What is the InChIKey of 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is JSSCEUPTJIYATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7S/c1-14(2)33-21-11-16(23(28)26-20-10-3-15(13-25-20)24(29)30)12-22(27-21)34-17-4-6-18(7-5-17)35(31,32)19-8-9-19/h3-7,10-14,19H,8-9H2,1-2H3,(H,29,30)(H,25,26,28).
What are the key properties of 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 497.53 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67765314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).