5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

C18H18F3N3O2 — CID 109102419

IUPAC5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c1-3-11(2)23-16(25)12-8-13(10-22-9-12)17(26)24-15-7-5-4-6-14(15)18(19,20)21/h4-11H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYDZJYEOJWGLRRN-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.88
Rot. Bonds5

About 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 109102419) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
PubChem CID109102419
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c1-3-11(2)23-16(25)12-8-13(10-22-9-12)17(26)24-15-7-5-4-6-14(15)18(19,20)21/h4-11H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYDZJYEOJWGLRRN-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102453
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109225415
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 109102419) is 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is CCC(C)NC(=O)c1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is YDZJYEOJWGLRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-3-11(2)23-16(25)12-8-13(10-22-9-12)17(26)24-15-7-5-4-6-14(15)18(19,20)21/h4-11H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).