5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C25H29ClFN3O2 — CID 53341068

IUPAC5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc2c(cc1C)C(C)(F)C(=O)N2CC1CCC(NC(=O)c2cc(Cl)cnc2C)CC1
InChIInChI=1S/C25H29ClFN3O2/c1-14-9-21-22(10-15(14)2)30(24(32)25(21,4)27)13-17-5-7-19(8-6-17)29-23(31)20-11-18(26)12-28-16(20)3/h9-12,17,19H,5-8,13H2,1-4H3,(H,29,31)
InChIKeyPHUJLCDWLLJDKH-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.18
Rot. Bonds4

About 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 53341068) has the molecular formula C25H29ClFN3O2 and a molecular weight of 457.98 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID53341068
Molecular FormulaC25H29ClFN3O2
Molecular Weight457.98 g/mol
Exact Mass457.19
IUPAC Name5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc2c(cc1C)C(C)(F)C(=O)N2CC1CCC(NC(=O)c2cc(Cl)cnc2C)CC1
InChIInChI=1S/C25H29ClFN3O2/c1-14-9-21-22(10-15(14)2)30(24(32)25(21,4)27)13-17-5-7-19(8-6-17)29-23(31)20-11-18(26)12-28-16(20)3/h9-12,17,19H,5-8,13H2,1-4H3,(H,29,31)
InChIKeyPHUJLCDWLLJDKH-UHFFFAOYSA-N
XLogP5.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.18
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-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 53341068) is 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1cc2c(cc1C)C(C)(F)C(=O)N2CC1CCC(NC(=O)c2cc(Cl)cnc2C)CC1.
What is the InChIKey of 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is PHUJLCDWLLJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN3O2/c1-14-9-21-22(10-15(14)2)30(24(32)25(21,4)27)13-17-5-7-19(8-6-17)29-23(31)20-11-18(26)12-28-16(20)3/h9-12,17,19H,5-8,13H2,1-4H3,(H,29,31).
What are the key properties of 5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 5.18, 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-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53341068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).