2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

C20H20F3N3O2 — CID 109081616

IUPAC2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)14-6-8-16(9-7-14)25-18(27)13-10-11-24-17(12-13)19(28)26-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,25,27)(H,26,28)
InChIKeyWGWCDUROSGVWQS-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.42
Rot. Bonds4

About 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109081616) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109081616
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)14-6-8-16(9-7-14)25-18(27)13-10-11-24-17(12-13)19(28)26-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,25,27)(H,26,28)
InChIKeyWGWCDUROSGVWQS-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109081016
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109201821
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081638
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (CID 109081616) is 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is WGWCDUROSGVWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)14-6-8-16(9-7-14)25-18(27)13-10-11-24-17(12-13)19(28)26-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,25,27)(H,26,28).
What are the key properties of 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 391.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).