N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide

C19H14F6N2O2 — CID 90579313

IUPACN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1ccc(OCC#CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H14F6N2O2/c1-12-4-5-16(11-27-12)29-7-3-2-6-26-17(28)13-8-14(18(20,21)22)10-15(9-13)19(23,24)25/h4-5,8-11H,6-7H2,1H3,(H,26,28)
InChIKeyWGUSNARRGJFEAT-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.24
Rot. Bonds4

About N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 90579313) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID90579313
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1ccc(OCC#CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H14F6N2O2/c1-12-4-5-16(11-27-12)29-7-3-2-6-26-17(28)13-8-14(18(20,21)22)10-15(9-13)19(23,24)25/h4-5,8-11H,6-7H2,1H3,(H,26,28)
InChIKeyWGUSNARRGJFEAT-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 121131554
3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579289
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-4-nitrobenzamide
CID 90579304
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90579556
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90579555
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722
2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579264
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
CID 90579339
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
CID 90579362
4-(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 90575873
N-(4-pyridin-3-yloxybut-2-ynyl)-4-(trifluoromethoxy)benzamide
CID 90579041
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
CID 90579189

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide (CID 90579313) is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide is Cc1ccc(OCC#CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is WGUSNARRGJFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c1-12-4-5-16(11-27-12)29-7-3-2-6-26-17(28)13-8-14(18(20,21)22)10-15(9-13)19(23,24)25/h4-5,8-11H,6-7H2,1H3,(H,26,28).
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide?
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 416.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 90579313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).