N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C18H21F2N5O3S — CID 118293499

IUPACN-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1
InChIInChI=1S/C18H21F2N5O3S/c1-12-16(24-29(27,28)25-7-4-18(19,20)5-8-25)9-15(11-22-12)14-3-6-21-17(10-14)23-13(2)26/h3,6,9-11,24H,4-5,7-8H2,1-2H3,(H,21,23,26)
InChIKeyJNCTWGDHHPSMAK-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.80
Rot. Bonds5

About N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293499) has the molecular formula C18H21F2N5O3S and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293499
Molecular FormulaC18H21F2N5O3S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC NameN-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1
InChIInChI=1S/C18H21F2N5O3S/c1-12-16(24-29(27,28)25-7-4-18(19,20)5-8-25)9-15(11-22-12)14-3-6-21-17(10-14)23-13(2)26/h3,6,9-11,24H,4-5,7-8H2,1-2H3,(H,21,23,26)
InChIKeyJNCTWGDHHPSMAK-UHFFFAOYSA-N
XLogP2.80
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293499) is N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1.
What is the InChIKey of N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is JNCTWGDHHPSMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O3S/c1-12-16(24-29(27,28)25-7-4-18(19,20)5-8-25)9-15(11-22-12)14-3-6-21-17(10-14)23-13(2)26/h3,6,9-11,24H,4-5,7-8H2,1-2H3,(H,21,23,26).
What are the key properties of N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 425.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).