N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

C18H17F3N4O2 — CID 59783648

IUPACN-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESO=C(NO)c1ccc(N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)12-5-6-22-16(7-12)25-10-14-8-15(25)9-24(14)13-3-1-11(2-4-13)17(26)23-27/h1-7,14-15,27H,8-10H2,(H,23,26)/t14-,15-/m1/s1
InChIKeyREUIERGZQKVJDP-HUUCEWRRSA-N
MW378.35 g/mol
LogP2.69
Rot. Bonds3

About N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (PubChem CID 59783648) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
PubChem CID59783648
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESO=C(NO)c1ccc(N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)12-5-6-22-16(7-12)25-10-14-8-15(25)9-24(14)13-3-1-11(2-4-13)17(26)23-27/h1-7,14-15,27H,8-10H2,(H,23,26)/t14-,15-/m1/s1
InChIKeyREUIERGZQKVJDP-HUUCEWRRSA-N
XLogP2.69
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.69
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'}

Analyze N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 143666594
N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 59783770
(1S,4S)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbaldehyde
CID 154464772
N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide
CID 162559235
2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 59783653
2-[(1S)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidine-5-carboxylic acid
CID 70253893
N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 25190149
(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 99857723
N-hydroxy-2-[7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-1,4-dihydropyrimidine-5-carboxamide
CID 88865618
6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane
CID 143892315
6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide
CID 88883960
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The IUPAC name of N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (CID 59783648) is N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is O=C(NO)c1ccc(N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The InChIKey is REUIERGZQKVJDP-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)12-5-6-22-16(7-12)25-10-14-8-15(25)9-24(14)13-3-1-11(2-4-13)17(26)23-27/h1-7,14-15,27H,8-10H2,(H,23,26)/t14-,15-/m1/s1.
What are the key properties of N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide has a molecular weight of 378.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is sourced from PubChem (CID 59783648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).