N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide

C18H18F3N3O2 — CID 113020231

IUPACN-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1)C1CCOCC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-2-1-3-14(10-13)23-16-5-4-15(11-22-16)24-17(25)12-6-8-26-9-7-12/h1-5,10-12H,6-9H2,(H,22,23)(H,24,25)
InChIKeyAOMCZQVUSXQYRR-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.21
Rot. Bonds4

About N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide

N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113020231) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
PubChem CID113020231
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1)C1CCOCC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-2-1-3-14(10-13)23-16-5-4-15(11-22-16)24-17(25)12-6-8-26-9-7-12/h1-5,10-12H,6-9H2,(H,22,23)(H,24,25)
InChIKeyAOMCZQVUSXQYRR-UHFFFAOYSA-N
XLogP4.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide (CID 113020231) is N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1)C1CCOCC1.
What is the InChIKey of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is AOMCZQVUSXQYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)13-2-1-3-14(10-13)23-16-5-4-15(11-22-16)24-17(25)12-6-8-26-9-7-12/h1-5,10-12H,6-9H2,(H,22,23)(H,24,25).
What are the key properties of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide?
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113020231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).