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

C16H22ClN3OSi — CID 156715187

IUPAC4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CC[Si](C)(C)CC3)[nH]c2n1
InChIInChI=1S/C16H22ClN3OSi/c1-10-8-13(17)12-9-14(20-15(12)18-10)16(21)19-11-4-6-22(2,3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDSQAZKFWOZYGCB-UHFFFAOYSA-N
MW335.91 g/mol
LogP4.13
Rot. Bonds2

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

4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 156715187) has the molecular formula C16H22ClN3OSi and a molecular weight of 335.91 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID156715187
Molecular FormulaC16H22ClN3OSi
Molecular Weight335.91 g/mol
Exact Mass335.12
IUPAC Name4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CC[Si](C)(C)CC3)[nH]c2n1
InChIInChI=1S/C16H22ClN3OSi/c1-10-8-13(17)12-9-14(20-15(12)18-10)16(21)19-11-4-6-22(2,3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDSQAZKFWOZYGCB-UHFFFAOYSA-N
XLogP4.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.91
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 156715187) is 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cc(Cl)c2cc(C(=O)NC3CC[Si](C)(C)CC3)[nH]c2n1.
What is the InChIKey of 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is DSQAZKFWOZYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3OSi/c1-10-8-13(17)12-9-14(20-15(12)18-10)16(21)19-11-4-6-22(2,3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 335.91 g/mol, XLogP of 4.13, 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-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 156715187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).