3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

C19H18F3N3O3 — CID 109103988

IUPAC3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)14-3-5-15(6-4-14)25-18(27)13-8-12(9-23-10-13)17(26)24-11-16-2-1-7-28-16/h3-6,8-10,16H,1-2,7,11H2,(H,24,26)(H,25,27)
InChIKeyYATMRTYYNBECRQ-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.26
Rot. Bonds5

About 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 109103988) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
PubChem CID109103988
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)14-3-5-15(6-4-14)25-18(27)13-8-12(9-23-10-13)17(26)24-11-16-2-1-7-28-16/h3-6,8-10,16H,1-2,7,11H2,(H,24,26)(H,25,27)
InChIKeyYATMRTYYNBECRQ-UHFFFAOYSA-N
XLogP3.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109153576
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3926906
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 109103988) is 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is O=C(NCC1CCCO1)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is YATMRTYYNBECRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)14-3-5-15(6-4-14)25-18(27)13-8-12(9-23-10-13)17(26)24-11-16-2-1-7-28-16/h3-6,8-10,16H,1-2,7,11H2,(H,24,26)(H,25,27).
What are the key properties of 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).