N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C16H20F3N3OSi — CID 156715362

IUPACN-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3c(C(F)(F)F)ccnc3[nH]2)CC1
InChIInChI=1S/C16H20F3N3OSi/c1-24(2)7-4-10(5-8-24)21-15(23)13-9-11-12(16(17,18)19)3-6-20-14(11)22-13/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNKDNUOQQCXHRCI-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.18
Rot. Bonds2

About N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 156715362) has the molecular formula C16H20F3N3OSi and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID156715362
Molecular FormulaC16H20F3N3OSi
Molecular Weight355.44 g/mol
Exact Mass355.13
IUPAC NameN-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3c(C(F)(F)F)ccnc3[nH]2)CC1
InChIInChI=1S/C16H20F3N3OSi/c1-24(2)7-4-10(5-8-24)21-15(23)13-9-11-12(16(17,18)19)3-6-20-14(11)22-13/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNKDNUOQQCXHRCI-UHFFFAOYSA-N
XLogP4.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715366
4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715187
N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715500
4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715348
4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715462
N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
CID 71663153
N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 156715565
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 163752481
1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 167541621
1,1-dimethylsilinan-4-amine;N-(1,1-dimethylsilinan-4-yl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 167649955
N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 171354096

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 156715362) is N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C[Si]1(C)CCC(NC(=O)c2cc3c(C(F)(F)F)ccnc3[nH]2)CC1.
What is the InChIKey of N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is NKDNUOQQCXHRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3OSi/c1-24(2)7-4-10(5-8-24)21-15(23)13-9-11-12(16(17,18)19)3-6-20-14(11)22-13/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 156715362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).