N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide

C24H18F6N4O3 — CID 11598907

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide
SMILESCOC(c1ccc(NC(=O)c2cccnc2Nc2ccc3c(c2)C(=O)NC3)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H18F6N4O3/c1-37-22(23(25,26)27,24(28,29)30)14-5-8-15(9-6-14)34-21(36)17-3-2-10-31-19(17)33-16-7-4-13-12-32-20(35)18(13)11-16/h2-11H,12H2,1H3,(H,31,33)(H,32,35)(H,34,36)
InChIKeyOYSAMEKXUXUXAO-UHFFFAOYSA-N
MW524.42 g/mol
LogP5.29
Rot. Bonds6

About N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 11598907) has the molecular formula C24H18F6N4O3 and a molecular weight of 524.42 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide
PubChem CID11598907
Molecular FormulaC24H18F6N4O3
Molecular Weight524.42 g/mol
Exact Mass524.13
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide
SMILESCOC(c1ccc(NC(=O)c2cccnc2Nc2ccc3c(c2)C(=O)NC3)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H18F6N4O3/c1-37-22(23(25,26)27,24(28,29)30)14-5-8-15(9-6-14)34-21(36)17-3-2-10-31-19(17)33-16-7-4-13-12-32-20(35)18(13)11-16/h2-11H,12H2,1H3,(H,31,33)(H,32,35)(H,34,36)
InChIKeyOYSAMEKXUXUXAO-UHFFFAOYSA-N
XLogP5.29
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.42
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide (CID 11598907) is N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide is COC(c1ccc(NC(=O)c2cccnc2Nc2ccc3c(c2)C(=O)NC3)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is OYSAMEKXUXUXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6N4O3/c1-37-22(23(25,26)27,24(28,29)30)14-5-8-15(9-6-14)34-21(36)17-3-2-10-31-19(17)33-16-7-4-13-12-32-20(35)18(13)11-16/h2-11H,12H2,1H3,(H,31,33)(H,32,35)(H,34,36).
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 524.42 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 11598907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).