6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

C23H20F3N3O5 — CID 143828092

IUPAC6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H20F3N3O5/c1-13(2)34-20-10-16(21(30)28-18-8-5-15(11-27-18)22(31)32)9-19(29-20)33-12-14-3-6-17(7-4-14)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,31,32)(H,27,28,30)
InChIKeyNNCCWBMPXITEED-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.81
Rot. Bonds8

About 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 143828092) has the molecular formula C23H20F3N3O5 and a molecular weight of 475.42 g/mol. Its IUPAC name is 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID143828092
Molecular FormulaC23H20F3N3O5
Molecular Weight475.42 g/mol
Exact Mass475.14
IUPAC Name6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H20F3N3O5/c1-13(2)34-20-10-16(21(30)28-18-8-5-15(11-27-18)22(31)32)9-19(29-20)33-12-14-3-6-17(7-4-14)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,31,32)(H,27,28,30)
InChIKeyNNCCWBMPXITEED-UHFFFAOYSA-N
XLogP4.81
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

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-methylsulfonyloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 87419927
6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489827
2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide
CID 143828066
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
methyl 6-[[2-[(1R)-1-phenylethoxy]-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 67765270
6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67765314
methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate
CID 67765319
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
CID 135394741
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 48524407

Frequently Asked Questions

What is the IUPAC name of 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 143828092) is 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(OCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is NNCCWBMPXITEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O5/c1-13(2)34-20-10-16(21(30)28-18-8-5-15(11-27-18)22(31)32)9-19(29-20)33-12-14-3-6-17(7-4-14)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,31,32)(H,27,28,30).
What are the key properties of 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 475.42 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 143828092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).