4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide

C24H33F2N5OSi — CID 170950299

IUPAC4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N)cc2N2CC[Si](C)(C)CC2)nc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C24H33F2N5OSi/c1-17-14-21(28-22(15-17)31-8-6-24(25,26)7-9-31)29-23(32)19-5-4-18(27)16-20(19)30-10-12-33(2,3)13-11-30/h4-5,14-16H,6-13,27H2,1-3H3,(H,28,29,32)
InChIKeyOSJXSTXNIQHIIT-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.99
Rot. Bonds4

About 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide

4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide (PubChem CID 170950299) has the molecular formula C24H33F2N5OSi and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide
PubChem CID170950299
Molecular FormulaC24H33F2N5OSi
Molecular Weight473.64 g/mol
Exact Mass473.24
IUPAC Name4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N)cc2N2CC[Si](C)(C)CC2)nc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C24H33F2N5OSi/c1-17-14-21(28-22(15-17)31-8-6-24(25,26)7-9-31)29-23(32)19-5-4-18(27)16-20(19)30-10-12-33(2,3)13-11-30/h4-5,14-16H,6-13,27H2,1-3H3,(H,28,29,32)
InChIKeyOSJXSTXNIQHIIT-UHFFFAOYSA-N
XLogP4.99
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3,3-difluoroazetidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)-4-(methanesulfonamido)benzamide
CID 170950107
4-bromo-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide
CID 170950059
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-4-(3-hydroxypropylsulfonyl)benzamide
CID 163685208
N-[4-(4,4-difluoropiperidin-1-yl)pyrimidin-2-yl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)-4-methylsulfonylbenzamide
CID 171824862
N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)benzamide
CID 167272304
N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)-4-(2-hydroxyethylsulfonylamino)benzamide
CID 170950389
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
CID 163698428
2-(6-azaspiro[2.5]octan-6-yl)-4-(cyclopropylsulfonimidoyl)-N-[6-(3-fluoro-3-methylazetidin-1-yl)-4-methyl-2-pyridinyl]benzamide
CID 167009542
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(3,3-difluorocyclobutyl)-4-methyl-2-pyridinyl]benzamide
CID 152943194
2-[4-(difluoromethyl)piperidin-1-yl]-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-methylbenzamide;ethane
CID 170950282
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-4-iodobenzoic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 157264484
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4,4-difluoropiperidin-1-yl)-5-nitro-2-pyridinyl]-4-methylbenzamide
CID 170178873

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide?
The IUPAC name of 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide (CID 170950299) is 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide.
What is the SMILES notation for 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide?
The canonical SMILES for 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide is Cc1cc(NC(=O)c2ccc(N)cc2N2CC[Si](C)(C)CC2)nc(N2CCC(F)(F)CC2)c1.
What is the InChIKey of 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide?
The InChIKey is OSJXSTXNIQHIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N5OSi/c1-17-14-21(28-22(15-17)31-8-6-24(25,26)7-9-31)29-23(32)19-5-4-18(27)16-20(19)30-10-12-33(2,3)13-11-30/h4-5,14-16H,6-13,27H2,1-3H3,(H,28,29,32).
What are the key properties of 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide?
4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide has a molecular weight of 473.64 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide is sourced from PubChem (CID 170950299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).