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

C24H33Cl2FN4O4Si — CID 156678411

IUPACN-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)c1nccc(OCCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C24H33Cl2FN4O4Si/c1-14(2)18-19(29-23(33)31-22(32)15-13-16(27)21(26)30-20(15)25)17(9-10-28-18)34-11-8-12-35-36(6,7)24(3,4)5/h9-10,13-14H,8,11-12H2,1-7H3,(H2,29,31,32,33)
InChIKeyWQRQPJUXHYPEFS-UHFFFAOYSA-N
MW559.54 g/mol
LogP6.80
Rot. Bonds9

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

N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (PubChem CID 156678411) has the molecular formula C24H33Cl2FN4O4Si and a molecular weight of 559.54 g/mol. Its IUPAC name is N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
PubChem CID156678411
Molecular FormulaC24H33Cl2FN4O4Si
Molecular Weight559.54 g/mol
Exact Mass558.16
IUPAC NameN-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)c1nccc(OCCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C24H33Cl2FN4O4Si/c1-14(2)18-19(29-23(33)31-22(32)15-13-16(27)21(26)30-20(15)25)17(9-10-28-18)34-11-8-12-35-36(6,7)24(3,4)5/h9-10,13-14H,8,11-12H2,1-7H3,(H2,29,31,32,33)
InChIKeyWQRQPJUXHYPEFS-UHFFFAOYSA-N
XLogP6.80
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.54
LogP ≤ 56.80
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (CID 156678411) is N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is CC(C)c1nccc(OCCCO[Si](C)(C)C(C)(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The InChIKey is WQRQPJUXHYPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Cl2FN4O4Si/c1-14(2)18-19(29-23(33)31-22(32)15-13-16(27)21(26)30-20(15)25)17(9-10-28-18)34-11-8-12-35-36(6,7)24(3,4)5/h9-10,13-14H,8,11-12H2,1-7H3,(H2,29,31,32,33).
What are the key properties of N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide has a molecular weight of 559.54 g/mol, XLogP of 6.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 156678411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).