1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide

C29H38F2N6O4S — CID 176666165

IUPAC1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide
SMILESCC1(C)CCCN(S(=O)(=O)C(F)F)C1.CC1CN(c2cccc(-c3ccc4cnc(CC(N)=O)cc4n3)n2)C[C@H](C)O1
InChIInChI=1S/C21H23N5O2.C8H15F2NO2S/c1-13-11-26(12-14(2)28-13)21-5-3-4-17(25-21)18-7-6-15-10-23-16(9-20(22)27)8-19(15)24-18;1-8(2)4-3-5-11(6-8)14(12,13)7(9)10/h3-8,10,13-14H,9,11-12H2,1-2H3,(H2,22,27);7H,3-6H2,1-2H3/t13-,14?;/m0./s1
InChIKeyDZRBNJHQUJYUHF-GPFYXIAXSA-N
MW604.72 g/mol
LogP3.99
Rot. Bonds6

About 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide

1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide (PubChem CID 176666165) has the molecular formula C29H38F2N6O4S and a molecular weight of 604.72 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide
PubChem CID176666165
Molecular FormulaC29H38F2N6O4S
Molecular Weight604.72 g/mol
Exact Mass604.26
IUPAC Name1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide
SMILESCC1(C)CCCN(S(=O)(=O)C(F)F)C1.CC1CN(c2cccc(-c3ccc4cnc(CC(N)=O)cc4n3)n2)C[C@H](C)O1
InChIInChI=1S/C21H23N5O2.C8H15F2NO2S/c1-13-11-26(12-14(2)28-13)21-5-3-4-17(25-21)18-7-6-15-10-23-16(9-20(22)27)8-19(15)24-18;1-8(2)4-3-5-11(6-8)14(12,13)7(9)10/h3-8,10,13-14H,9,11-12H2,1-2H3,(H2,22,27);7H,3-6H2,1-2H3/t13-,14?;/m0./s1
InChIKeyDZRBNJHQUJYUHF-GPFYXIAXSA-N
XLogP3.99
TPSA131.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide (CID 176666165) is 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide is CC1(C)CCCN(S(=O)(=O)C(F)F)C1.CC1CN(c2cccc(-c3ccc4cnc(CC(N)=O)cc4n3)n2)C[C@H](C)O1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is DZRBNJHQUJYUHF-GPFYXIAXSA-N. The full InChI is InChI=1S/C21H23N5O2.C8H15F2NO2S/c1-13-11-26(12-14(2)28-13)21-5-3-4-17(25-21)18-7-6-15-10-23-16(9-20(22)27)8-19(15)24-18;1-8(2)4-3-5-11(6-8)14(12,13)7(9)10/h3-8,10,13-14H,9,11-12H2,1-2H3,(H2,22,27);7H,3-6H2,1-2H3/t13-,14?;/m0./s1.
What are the key properties of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide?
1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 604.72 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 176666165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).