4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C18H26ClN3OSi — CID 156715462

IUPAC4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)CCC3)[nH]c2n1
InChIInChI=1S/C18H26ClN3OSi/c1-12-10-15(19)14-11-16(22-17(14)20-12)18(23)21-13-6-4-8-24(2,3)9-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQFBVPNCIELPKCZ-UHFFFAOYSA-N
MW363.97 g/mol
LogP4.91
Rot. Bonds2

About 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 156715462) has the molecular formula C18H26ClN3OSi and a molecular weight of 363.97 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID156715462
Molecular FormulaC18H26ClN3OSi
Molecular Weight363.97 g/mol
Exact Mass363.15
IUPAC Name4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)CCC3)[nH]c2n1
InChIInChI=1S/C18H26ClN3OSi/c1-12-10-15(19)14-11-16(22-17(14)20-12)18(23)21-13-6-4-8-24(2,3)9-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQFBVPNCIELPKCZ-UHFFFAOYSA-N
XLogP4.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.97
LogP ≤ 54.91
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

4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715187
4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 175284207
4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 175284206
CID 175283036
CID 175283036
N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715366
4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715348
N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715362
4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715455
7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide
CID 17261236
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
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 156715462) is 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)CCC3)[nH]c2n1.
What is the InChIKey of 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is QFBVPNCIELPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3OSi/c1-12-10-15(19)14-11-16(22-17(14)20-12)18(23)21-13-6-4-8-24(2,3)9-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 363.97 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 156715462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).