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

C15H19Cl2N3OSi — CID 156715348

IUPAC4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3c(Cl)c(Cl)ncc3[nH]2)CC1
InChIInChI=1S/C15H19Cl2N3OSi/c1-22(2)5-3-9(4-6-22)19-15(21)11-7-10-12(20-11)8-18-14(17)13(10)16/h7-9,20H,3-6H2,1-2H3,(H,19,21)
InChIKeyKUKWRRRNYXPTRX-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.47
Rot. Bonds2

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

4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 156715348) has the molecular formula C15H19Cl2N3OSi and a molecular weight of 356.33 g/mol. Its IUPAC name is 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID156715348
Molecular FormulaC15H19Cl2N3OSi
Molecular Weight356.33 g/mol
Exact Mass355.07
IUPAC Name4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESC[Si]1(C)CCC(NC(=O)c2cc3c(Cl)c(Cl)ncc3[nH]2)CC1
InChIInChI=1S/C15H19Cl2N3OSi/c1-22(2)5-3-9(4-6-22)19-15(21)11-7-10-12(20-11)8-18-14(17)13(10)16/h7-9,20H,3-6H2,1-2H3,(H,19,21)
InChIKeyKUKWRRRNYXPTRX-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 156715348) is 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is C[Si]1(C)CCC(NC(=O)c2cc3c(Cl)c(Cl)ncc3[nH]2)CC1.
What is the InChIKey of 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KUKWRRRNYXPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3OSi/c1-22(2)5-3-9(4-6-22)19-15(21)11-7-10-12(20-11)8-18-14(17)13(10)16/h7-9,20H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 156715348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).