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

C20H24Cl3FN4O4Si — CID 156678416

IUPACN-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCOc1ccnc(Cl)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C20H24Cl3FN4O4Si/c1-20(2,3)33(4,5)32-9-8-31-13-6-7-25-17(23)14(13)26-19(30)28-18(29)11-10-12(24)16(22)27-15(11)21/h6-7,10H,8-9H2,1-5H3,(H2,26,28,29,30)
InChIKeySPNDPFYWFWXFIT-UHFFFAOYSA-N
MW537.88 g/mol
LogP5.94
Rot. Bonds7

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

N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (PubChem CID 156678416) has the molecular formula C20H24Cl3FN4O4Si and a molecular weight of 537.88 g/mol. Its IUPAC name is N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
PubChem CID156678416
Molecular FormulaC20H24Cl3FN4O4Si
Molecular Weight537.88 g/mol
Exact Mass536.06
IUPAC NameN-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCOc1ccnc(Cl)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C20H24Cl3FN4O4Si/c1-20(2,3)33(4,5)32-9-8-31-13-6-7-25-17(23)14(13)26-19(30)28-18(29)11-10-12(24)16(22)27-15(11)21/h6-7,10H,8-9H2,1-5H3,(H2,26,28,29,30)
InChIKeySPNDPFYWFWXFIT-UHFFFAOYSA-N
XLogP5.94
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.88
LogP ≤ 55.94
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-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (CID 156678416) is N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-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-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is CC(C)(C)[Si](C)(C)OCCOc1ccnc(Cl)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The InChIKey is SPNDPFYWFWXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl3FN4O4Si/c1-20(2,3)33(4,5)32-9-8-31-13-6-7-25-17(23)14(13)26-19(30)28-18(29)11-10-12(24)16(22)27-15(11)21/h6-7,10H,8-9H2,1-5H3,(H2,26,28,29,30).
What are the key properties of N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
N-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide has a molecular weight of 537.88 g/mol, XLogP of 5.94, 7 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-chloro-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 156678416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).