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

C22H21Cl2F2N3O2 — CID 53341554

IUPAC5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C22H21Cl2F2N3O2/c1-12-17(8-15(24)10-27-12)20(30)28-16-5-2-13(3-6-16)11-29-19-9-14(23)4-7-18(19)22(25,26)21(29)31/h4,7-10,13,16H,2-3,5-6,11H2,1H3,(H,28,30)
InChIKeyFSPUCNMCLSWKHA-UHFFFAOYSA-N
MW468.33 g/mol
LogP5.12
Rot. Bonds4

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

5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 53341554) has the molecular formula C22H21Cl2F2N3O2 and a molecular weight of 468.33 g/mol. Its IUPAC name is 5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID53341554
Molecular FormulaC22H21Cl2F2N3O2
Molecular Weight468.33 g/mol
Exact Mass467.10
IUPAC Name5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C22H21Cl2F2N3O2/c1-12-17(8-15(24)10-27-12)20(30)28-16-5-2-13(3-6-16)11-29-19-9-14(23)4-7-18(19)22(25,26)21(29)31/h4,7-10,13,16H,2-3,5-6,11H2,1H3,(H,28,30)
InChIKeyFSPUCNMCLSWKHA-UHFFFAOYSA-N
XLogP5.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.33
LogP ≤ 55.12
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-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 53341554) is 5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1.
What is the InChIKey of 5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is FSPUCNMCLSWKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2F2N3O2/c1-12-17(8-15(24)10-27-12)20(30)28-16-5-2-13(3-6-16)11-29-19-9-14(23)4-7-18(19)22(25,26)21(29)31/h4,7-10,13,16H,2-3,5-6,11H2,1H3,(H,28,30).
What are the key properties of 5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 468.33 g/mol, XLogP of 5.12, 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-[(6-chloro-3,3-difluoro-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53341554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).