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

C18H18F3N3O2 — CID 109102234

IUPAC3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3N3O2/c1-11(2)8-23-16(25)12-7-13(10-22-9-12)17(26)24-15-5-3-14(4-6-15)18(19,20)21/h3-7,9-11H,8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXGFCKVPPQXBXKC-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.74
Rot. Bonds5

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

3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 109102234) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
PubChem CID109102234
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3N3O2/c1-11(2)8-23-16(25)12-7-13(10-22-9-12)17(26)24-15-5-3-14(4-6-15)18(19,20)21/h3-7,9-11H,8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXGFCKVPPQXBXKC-UHFFFAOYSA-N
XLogP3.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102217
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988
methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102240
5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101242
N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108941680
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 109102234) is 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is XGFCKVPPQXBXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11(2)8-23-16(25)12-7-13(10-22-9-12)17(26)24-15-5-3-14(4-6-15)18(19,20)21/h3-7,9-11H,8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).