N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide

C20H20F3N3O3 — CID 134459823

IUPACN-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide
SMILESO=C(NO)c1cccc2c1OC1(CC2)CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)14-4-5-16(24-12-14)26-10-8-19(9-11-26)7-6-13-2-1-3-15(17(13)29-19)18(27)25-28/h1-5,12,28H,6-11H2,(H,25,27)
InChIKeyAQTARMNHGUKPQQ-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.58
Rot. Bonds2

About N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide

N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide (PubChem CID 134459823) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide
PubChem CID134459823
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide
SMILESO=C(NO)c1cccc2c1OC1(CC2)CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)14-4-5-16(24-12-14)26-10-8-19(9-11-26)7-6-13-2-1-3-15(17(13)29-19)18(27)25-28/h1-5,12,28H,6-11H2,(H,25,27)
InChIKeyAQTARMNHGUKPQQ-UHFFFAOYSA-N
XLogP3.58
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide
CID 134459911
8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 25254067
N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43040213
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782
[1-(3-fluorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55331330
(2,2-dichloro-1-methylcyclopropyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 51163234
(2-hydroxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 33148672

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
The IUPAC name of N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide (CID 134459823) is N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide.
What is the SMILES notation for N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
The canonical SMILES for N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide is O=C(NO)c1cccc2c1OC1(CC2)CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
The InChIKey is AQTARMNHGUKPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)14-4-5-16(24-12-14)26-10-8-19(9-11-26)7-6-13-2-1-3-15(17(13)29-19)18(27)25-28/h1-5,12,28H,6-11H2,(H,25,27).
What are the key properties of N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1'-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide is sourced from PubChem (CID 134459823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).