N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C18H19F3N4O3S — CID 56504110

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H19F3N4O3S/c19-18(20,21)29(27,28)17-15(5-3-9-23-17)16(26)24-13-6-10-25(11-7-13)12-14-4-1-2-8-22-14/h1-5,8-9,13H,6-7,10-12H2,(H,24,26)
InChIKeyAUPZVLXBIPSTHU-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.16
Rot. Bonds5

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 56504110) has the molecular formula C18H19F3N4O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID56504110
Molecular FormulaC18H19F3N4O3S
Molecular Weight428.44 g/mol
Exact Mass428.11
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H19F3N4O3S/c19-18(20,21)29(27,28)17-15(5-3-9-23-17)16(26)24-13-6-10-25(11-7-13)12-14-4-1-2-8-22-14/h1-5,8-9,13H,6-7,10-12H2,(H,24,26)
InChIKeyAUPZVLXBIPSTHU-UHFFFAOYSA-N
XLogP2.16
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500520
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 56504110) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccccn2)CC1)c1cccnc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is AUPZVLXBIPSTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S/c19-18(20,21)29(27,28)17-15(5-3-9-23-17)16(26)24-13-6-10-25(11-7-13)12-14-4-1-2-8-22-14/h1-5,8-9,13H,6-7,10-12H2,(H,24,26).
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 56504110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).