N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide

C15H14F3N3O2 — CID 37350824

IUPACN-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C15H14F3N3O2/c1-21(2)13-8-5-11(9-19-13)20-14(22)10-3-6-12(7-4-10)23-15(16,17)18/h3-9H,1-2H3,(H,20,22)
InChIKeyONAJJLSFPRQONS-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.30
Rot. Bonds4

About N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide

N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide (PubChem CID 37350824) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
PubChem CID37350824
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C15H14F3N3O2/c1-21(2)13-8-5-11(9-19-13)20-14(22)10-3-6-12(7-4-10)23-15(16,17)18/h3-9H,1-2H3,(H,20,22)
InChIKeyONAJJLSFPRQONS-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122297980
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-[6-(dimethylamino)-3-pyridinyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932973
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide (CID 37350824) is N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide is CN(C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ONAJJLSFPRQONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-21(2)13-8-5-11(9-19-13)20-14(22)10-3-6-12(7-4-10)23-15(16,17)18/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 325.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 37350824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).