6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

C17H23F3N4O2 — CID 118736796

IUPAC6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)12-23-5-3-14(4-6-23)22-16(25)13-1-2-15(21-11-13)24-7-9-26-10-8-24/h1-2,11,14H,3-10,12H2,(H,22,25)
InChIKeyXUBULEBZIIMPFC-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.67
Rot. Bonds4

About 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 118736796) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID118736796
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)12-23-5-3-14(4-6-23)22-16(25)13-1-2-15(21-11-13)24-7-9-26-10-8-24/h1-2,11,14H,3-10,12H2,(H,22,25)
InChIKeyXUBULEBZIIMPFC-UHFFFAOYSA-N
XLogP1.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Dipyridodiazepinone deriv. 35
CID 463555
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146637372
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 146637411
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 44527525
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
6-Morpholinonicotinamide
CID 260349
1-(5-Carbamoylpyridin-2-yl)piperidin-4-yl 4-isopropylpiperazine-1-carboxylate
CID 71533679
N-(4-bromophenyl)-2-(4-morpholinyl)nicotinamide
CID 2964248

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 118736796) is 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XUBULEBZIIMPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)12-23-5-3-14(4-6-23)22-16(25)13-1-2-15(21-11-13)24-7-9-26-10-8-24/h1-2,11,14H,3-10,12H2,(H,22,25).
What are the key properties of 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118736796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).