2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C19H19F5N4O3S — CID 146575839

IUPAC2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C19H19F5N4O3S/c1-11-10-28(6-4-18(11,20)21)16-14(7-12(9-26-16)19(22,23)24)17(29)27-13-3-5-25-15(8-13)32(2,30)31/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,25,27,29)
InChIKeyNMPPLKOGTILPOH-UHFFFAOYSA-N
MW478.44 g/mol
LogP3.63
Rot. Bonds4

About 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146575839) has the molecular formula C19H19F5N4O3S and a molecular weight of 478.44 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146575839
Molecular FormulaC19H19F5N4O3S
Molecular Weight478.44 g/mol
Exact Mass478.11
IUPAC Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C19H19F5N4O3S/c1-11-10-28(6-4-18(11,20)21)16-14(7-12(9-26-16)19(22,23)24)17(29)27-13-3-5-25-15(8-13)32(2,30)31/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,25,27,29)
InChIKeyNMPPLKOGTILPOH-UHFFFAOYSA-N
XLogP3.63
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146575839) is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CCC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NMPPLKOGTILPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N4O3S/c1-11-10-28(6-4-18(11,20)21)16-14(7-12(9-26-16)19(22,23)24)17(29)27-13-3-5-25-15(8-13)32(2,30)31/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,25,27,29).
What are the key properties of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 478.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146575839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).