4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C20H22F3N3O — CID 44546809

IUPAC4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc(NCC3CCCCC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)17-10-14(19(24)27)6-8-16(17)15-7-9-18(26-12-15)25-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H2,24,27)(H,25,26)
InChIKeyGIVUAIKHWRDIPK-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.86
Rot. Bonds5

About 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 44546809) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID44546809
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc(NCC3CCCCC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)17-10-14(19(24)27)6-8-16(17)15-7-9-18(26-12-15)25-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H2,24,27)(H,25,26)
InChIKeyGIVUAIKHWRDIPK-UHFFFAOYSA-N
XLogP4.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 44546809) is 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(-c2ccc(NCC3CCCCC3)nc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GIVUAIKHWRDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c21-20(22,23)17-10-14(19(24)27)6-8-16(17)15-7-9-18(26-12-15)25-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H2,24,27)(H,25,26).
What are the key properties of 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 377.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 44546809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).