5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C23H25ClFN3O2 — CID 53341557

IUPAC5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)[C@](C)(F)c3ccccc32)CC1
InChIInChI=1S/C23H25ClFN3O2/c1-14-18(11-16(24)12-26-14)21(29)27-17-9-7-15(8-10-17)13-28-20-6-4-3-5-19(20)23(2,25)22(28)30/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,27,29)/t15?,17?,23-/m1/s1
InChIKeyOIXNYOOXUYKBKE-PYDGXCHUSA-N
MW429.92 g/mol
LogP4.56
Rot. Bonds4

About 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 53341557) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID53341557
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)[C@](C)(F)c3ccccc32)CC1
InChIInChI=1S/C23H25ClFN3O2/c1-14-18(11-16(24)12-26-14)21(29)27-17-9-7-15(8-10-17)13-28-20-6-4-3-5-19(20)23(2,25)22(28)30/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,27,29)/t15?,17?,23-/m1/s1
InChIKeyOIXNYOOXUYKBKE-PYDGXCHUSA-N
XLogP4.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 53341557) is 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)[C@](C)(F)c3ccccc32)CC1.
What is the InChIKey of 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is OIXNYOOXUYKBKE-PYDGXCHUSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-14-18(11-16(24)12-26-14)21(29)27-17-9-7-15(8-10-17)13-28-20-6-4-3-5-19(20)23(2,25)22(28)30/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,27,29)/t15?,17?,23-/m1/s1.
What are the key properties of 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 429.92 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53341557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).