N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C19H22F3N3O2 — CID 55582051

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C19H22F3N3O2/c1-13-14(7-8-17(24-13)19(20,21)22)18(26)23-12-15(16-6-5-11-27-16)25-9-3-2-4-10-25/h5-8,11,15H,2-4,9-10,12H2,1H3,(H,23,26)
InChIKeyNUSIZALMVNDGII-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 55582051) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID55582051
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C19H22F3N3O2/c1-13-14(7-8-17(24-13)19(20,21)22)18(26)23-12-15(16-6-5-11-27-16)25-9-3-2-4-10-25/h5-8,11,15H,2-4,9-10,12H2,1H3,(H,23,26)
InChIKeyNUSIZALMVNDGII-UHFFFAOYSA-N
XLogP3.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
2-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylpyrimidine-5-carboxamide
CID 95122584
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34864710
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18161323
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 55582051) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NUSIZALMVNDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-13-14(7-8-17(24-13)19(20,21)22)18(26)23-12-15(16-6-5-11-27-16)25-9-3-2-4-10-25/h5-8,11,15H,2-4,9-10,12H2,1H3,(H,23,26).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55582051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).