N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide

C21H24F3N3O3 — CID 7588642

IUPACN-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
SMILESCCCCN1C(=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C21H24F3N3O3/c1-4-5-9-27-14-10-19(2,3)11-15(28)16(14)20(18(27)30,21(22,23)24)26-17(29)13-7-6-8-25-12-13/h6-8,12H,4-5,9-11H2,1-3H3,(H,26,29)/t20-/m0/s1
InChIKeyPASJYBVNXNIECN-FQEVSTJZSA-N
MW423.44 g/mol
LogP3.40
Rot. Bonds5

About N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide

N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (PubChem CID 7588642) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
PubChem CID7588642
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC NameN-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
SMILESCCCCN1C(=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C21H24F3N3O3/c1-4-5-9-27-14-10-19(2,3)11-15(28)16(14)20(18(27)30,21(22,23)24)26-17(29)13-7-6-8-25-12-13/h6-8,12H,4-5,9-11H2,1-3H3,(H,26,29)/t20-/m0/s1
InChIKeyPASJYBVNXNIECN-FQEVSTJZSA-N
XLogP3.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 2027460
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 40783262
N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 2001159
N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 42578759
N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
CID 46500732
N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
CID 42578742
3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
CID 42578745
N-[1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methoxybenzamide
CID 4310350
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methoxybenzamide
CID 92651801
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide
CID 2001802
N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 17087870
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenylpropanamide
CID 2222332

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (CID 7588642) is N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is CCCCN1C(=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
The InChIKey is PASJYBVNXNIECN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-4-5-9-27-14-10-19(2,3)11-15(28)16(14)20(18(27)30,21(22,23)24)26-17(29)13-7-6-8-25-12-13/h6-8,12H,4-5,9-11H2,1-3H3,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 7588642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).