N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide

C20H23F3N2O3 — CID 71499487

IUPACN-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C20H23F3N2O3/c1-14(2)8-10-24-19(26)18-7-6-15(13-25-18)9-11-27-16-4-3-5-17(12-16)28-20(21,22)23/h3-7,12-14H,8-11H2,1-2H3,(H,24,26)
InChIKeyBWQMZGLZAJEYNX-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.38
Rot. Bonds9

About N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide

N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide (PubChem CID 71499487) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide
PubChem CID71499487
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C20H23F3N2O3/c1-14(2)8-10-24-19(26)18-7-6-15(13-25-18)9-11-27-16-4-3-5-17(12-16)28-20(21,22)23/h3-7,12-14H,8-11H2,1-2H3,(H,24,26)
InChIKeyBWQMZGLZAJEYNX-UHFFFAOYSA-N
XLogP4.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
N-methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide
CID 49830591
N-(4-Ethoxyphenyl)picolinamide
CID 904031
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
2,6-dimethoxy-N-pyridin-3-ylbenzamide
CID 825635
3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 2108129
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide (CID 71499487) is N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide is CC(C)CCNC(=O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cn1.
What is the InChIKey of N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide?
The InChIKey is BWQMZGLZAJEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-14(2)8-10-24-19(26)18-7-6-15(13-25-18)9-11-27-16-4-3-5-17(12-16)28-20(21,22)23/h3-7,12-14H,8-11H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide?
N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-[2-[3-(trifluoromethoxy)phenoxy]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71499487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).