2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide

C30H31F5N4O3Si — CID 174153074

IUPAC2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide
SMILESCc1c(C(F)(F)F)cnc(Oc2ccc(F)c(F)c2CO[Si](C)(C)C(C)(C)C)c1-c1cc(C)c2c(C(N)=O)nccc2n1
InChIInChI=1S/C30H31F5N4O3Si/c1-15-12-21(39-20-10-11-37-26(23(15)20)27(36)40)24-16(2)18(30(33,34)35)13-38-28(24)42-22-9-8-19(31)25(32)17(22)14-41-43(6,7)29(3,4)5/h8-13H,14H2,1-7H3,(H2,36,40)
InChIKeyOXMNSZIIVUFXJK-UHFFFAOYSA-N
MW618.68 g/mol
LogP8.02
Rot. Bonds7

About 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide

2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide (PubChem CID 174153074) has the molecular formula C30H31F5N4O3Si and a molecular weight of 618.68 g/mol. Its IUPAC name is 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide
PubChem CID174153074
Molecular FormulaC30H31F5N4O3Si
Molecular Weight618.68 g/mol
Exact Mass618.21
IUPAC Name2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide
SMILESCc1c(C(F)(F)F)cnc(Oc2ccc(F)c(F)c2CO[Si](C)(C)C(C)(C)C)c1-c1cc(C)c2c(C(N)=O)nccc2n1
InChIInChI=1S/C30H31F5N4O3Si/c1-15-12-21(39-20-10-11-37-26(23(15)20)27(36)40)24-16(2)18(30(33,34)35)13-38-28(24)42-22-9-8-19(31)25(32)17(22)14-41-43(6,7)29(3,4)5/h8-13H,14H2,1-7H3,(H2,36,40)
InChIKeyOXMNSZIIVUFXJK-UHFFFAOYSA-N
XLogP8.02
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.68
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide (CID 174153074) is 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide is Cc1c(C(F)(F)F)cnc(Oc2ccc(F)c(F)c2CO[Si](C)(C)C(C)(C)C)c1-c1cc(C)c2c(C(N)=O)nccc2n1.
What is the InChIKey of 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide?
The InChIKey is OXMNSZIIVUFXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F5N4O3Si/c1-15-12-21(39-20-10-11-37-26(23(15)20)27(36)40)24-16(2)18(30(33,34)35)13-38-28(24)42-22-9-8-19(31)25(32)17(22)14-41-43(6,7)29(3,4)5/h8-13H,14H2,1-7H3,(H2,36,40).
What are the key properties of 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide?
2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide has a molecular weight of 618.68 g/mol, XLogP of 8.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-difluorophenoxy]-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-methyl-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 174153074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).