5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide

C22H20ClF2N3O3 — CID 163232574

IUPAC5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C1C(=O)N(CC2CCC(NC(=O)c3cc(Cl)cnc3C(F)F)CC2)c2ccccc21
InChIInChI=1S/C22H20ClF2N3O3/c23-13-9-16(18(20(24)25)26-10-13)21(30)27-14-7-5-12(6-8-14)11-28-17-4-2-1-3-15(17)19(29)22(28)31/h1-4,9-10,12,14,20H,5-8,11H2,(H,27,30)
InChIKeyUAHZLTANYSOBDY-UHFFFAOYSA-N
MW447.87 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 163232574) has the molecular formula C22H20ClF2N3O3 and a molecular weight of 447.87 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID163232574
Molecular FormulaC22H20ClF2N3O3
Molecular Weight447.87 g/mol
Exact Mass447.12
IUPAC Name5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C1C(=O)N(CC2CCC(NC(=O)c3cc(Cl)cnc3C(F)F)CC2)c2ccccc21
InChIInChI=1S/C22H20ClF2N3O3/c23-13-9-16(18(20(24)25)26-10-13)21(30)27-14-7-5-12(6-8-14)11-28-17-4-2-1-3-15(17)19(29)22(28)31/h1-4,9-10,12,14,20H,5-8,11H2,(H,27,30)
InChIKeyUAHZLTANYSOBDY-UHFFFAOYSA-N
XLogP4.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 163232432
5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 163232399
5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 170667126
5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluoro-3-methylphenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232336
5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232471
5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 163232567
5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172693
5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172782
5-chloro-2-(difluoromethyl)-N-[4-[[3-hydroxy-3-(5-methylthiophen-3-yl)-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 166988574
5-chloro-2-(difluoromethyl)-N-[4-[[3-hydroxy-3-(3-methylsulfanylphenyl)-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232480
5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232381
5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232479

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (CID 163232574) is 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is O=C1C(=O)N(CC2CCC(NC(=O)c3cc(Cl)cnc3C(F)F)CC2)c2ccccc21.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is UAHZLTANYSOBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O3/c23-13-9-16(18(20(24)25)26-10-13)21(30)27-14-7-5-12(6-8-14)11-28-17-4-2-1-3-15(17)19(29)22(28)31/h1-4,9-10,12,14,20H,5-8,11H2,(H,27,30).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 447.87 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 163232574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).