N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C20H24N4OSi — CID 156715500

IUPACN-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3cc(-c4cccnc4)cnc3[nH]2)CC1
InChIInChI=1S/C20H24N4OSi/c1-26(2)8-5-17(6-9-26)23-20(25)18-11-15-10-16(13-22-19(15)24-18)14-4-3-7-21-12-14/h3-4,7,10-13,17H,5-6,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXWHVNMJHYIDYRG-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.23
Rot. Bonds3

About N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 156715500) has the molecular formula C20H24N4OSi and a molecular weight of 364.53 g/mol. Its IUPAC name is N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID156715500
Molecular FormulaC20H24N4OSi
Molecular Weight364.53 g/mol
Exact Mass364.17
IUPAC NameN-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3cc(-c4cccnc4)cnc3[nH]2)CC1
InChIInChI=1S/C20H24N4OSi/c1-26(2)8-5-17(6-9-26)23-20(25)18-11-15-10-16(13-22-19(15)24-18)14-4-3-7-21-12-14/h3-4,7,10-13,17H,5-6,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXWHVNMJHYIDYRG-UHFFFAOYSA-N
XLogP4.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715362
4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715348
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)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715366
N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
CID 66829942
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
N-cyclopropyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 53003807
N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 156715565
N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide
CID 24955947
[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid
CID 135122320
4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715462
N-cyclopentylpyridine-3-carboxamide
CID 805532

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 156715500) is N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C[Si]1(C)CCC(NC(=O)c2cc3cc(-c4cccnc4)cnc3[nH]2)CC1.
What is the InChIKey of N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is XWHVNMJHYIDYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OSi/c1-26(2)8-5-17(6-9-26)23-20(25)18-11-15-10-16(13-22-19(15)24-18)14-4-3-7-21-12-14/h3-4,7,10-13,17H,5-6,8-9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 156715500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).