2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide

C22H35FN6O2Si — CID 174144136

IUPAC2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
SMILESCn1nc(NCC(=O)NCC(=O)NCc2cccnc2)cc1[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H35FN6O2Si/c1-21(2,3)32(23,22(4,5)6)20-11-17(28-29(20)7)25-14-18(30)27-15-19(31)26-13-16-9-8-10-24-12-16/h8-12H,13-15H2,1-7H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyGSPBSCHJHDSZLO-UHFFFAOYSA-N
MW462.65 g/mol
LogP2.38
Rot. Bonds8

About 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide

2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide (PubChem CID 174144136) has the molecular formula C22H35FN6O2Si and a molecular weight of 462.65 g/mol. Its IUPAC name is 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
PubChem CID174144136
Molecular FormulaC22H35FN6O2Si
Molecular Weight462.65 g/mol
Exact Mass462.26
IUPAC Name2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
SMILESCn1nc(NCC(=O)NCC(=O)NCc2cccnc2)cc1[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H35FN6O2Si/c1-21(2,3)32(23,22(4,5)6)20-11-17(28-29(20)7)25-14-18(30)27-15-19(31)26-13-16-9-8-10-24-12-16/h8-12H,13-15H2,1-7H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyGSPBSCHJHDSZLO-UHFFFAOYSA-N
XLogP2.38
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.65
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 174143437
2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide
CID 174143663
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
2-[[2-(pyridin-3-ylmethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 142039705
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide (CID 174144136) is 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide is Cn1nc(NCC(=O)NCC(=O)NCc2cccnc2)cc1[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
The InChIKey is GSPBSCHJHDSZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN6O2Si/c1-21(2,3)32(23,22(4,5)6)20-11-17(28-29(20)7)25-14-18(30)27-15-19(31)26-13-16-9-8-10-24-12-16/h8-12H,13-15H2,1-7H3,(H,25,28)(H,26,31)(H,27,30).
What are the key properties of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide has a molecular weight of 462.65 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 174144136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).