N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide

C23H31Cl2FN4O4Si — CID 156678296

IUPACN-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)c1nccc(OCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C23H31Cl2FN4O4Si/c1-13(2)17-18(16(8-9-27-17)33-10-11-34-35(6,7)23(3,4)5)28-22(32)30-21(31)14-12-15(26)20(25)29-19(14)24/h8-9,12-13H,10-11H2,1-7H3,(H2,28,30,31,32)
InChIKeyCWEPTEBOASNBAF-UHFFFAOYSA-N
MW545.52 g/mol
LogP6.41
Rot. Bonds8

About N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide

N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (PubChem CID 156678296) has the molecular formula C23H31Cl2FN4O4Si and a molecular weight of 545.52 g/mol. Its IUPAC name is N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
PubChem CID156678296
Molecular FormulaC23H31Cl2FN4O4Si
Molecular Weight545.52 g/mol
Exact Mass544.15
IUPAC NameN-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)c1nccc(OCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C23H31Cl2FN4O4Si/c1-13(2)17-18(16(8-9-27-17)33-10-11-34-35(6,7)23(3,4)5)28-22(32)30-21(31)14-12-15(26)20(25)29-19(14)24/h8-9,12-13H,10-11H2,1-7H3,(H2,28,30,31,32)
InChIKeyCWEPTEBOASNBAF-UHFFFAOYSA-N
XLogP6.41
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.52
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (CID 156678296) is N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is CC(C)c1nccc(OCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The InChIKey is CWEPTEBOASNBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31Cl2FN4O4Si/c1-13(2)17-18(16(8-9-27-17)33-10-11-34-35(6,7)23(3,4)5)28-22(32)30-21(31)14-12-15(26)20(25)29-19(14)24/h8-9,12-13H,10-11H2,1-7H3,(H2,28,30,31,32).
What are the key properties of N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide has a molecular weight of 545.52 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 156678296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).