N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide

C18H17F3N4O3 — CID 86985917

IUPACN'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O3/c19-18(20,21)11-4-1-5-12(10-11)23-15-13(6-2-8-22-15)16(26)24-25-17(27)14-7-3-9-28-14/h1-2,4-6,8,10,14H,3,7,9H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeyMRWGXIKIJOSQKR-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.78
Rot. Bonds4

About N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide

N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide (PubChem CID 86985917) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
PubChem CID86985917
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O3/c19-18(20,21)11-4-1-5-12(10-11)23-15-13(6-2-8-22-15)16(26)24-25-17(27)14-7-3-9-28-14/h1-2,4-6,8,10,14H,3,7,9H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeyMRWGXIKIJOSQKR-UHFFFAOYSA-N
XLogP2.78
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 41139711
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 78813930
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 55416374
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide;hydrochloride
CID 119455649
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 155134137
[2-(tert-butylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2363934

Frequently Asked Questions

What is the IUPAC name of N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
The IUPAC name of N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide (CID 86985917) is N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide is O=C(NNC(=O)C1CCCO1)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
The InChIKey is MRWGXIKIJOSQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c19-18(20,21)11-4-1-5-12(10-11)23-15-13(6-2-8-22-15)16(26)24-25-17(27)14-7-3-9-28-14/h1-2,4-6,8,10,14H,3,7,9H2,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide has a molecular weight of 394.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide is sourced from PubChem (CID 86985917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).