6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C20H21ClF3N3O — CID 44570612

IUPAC6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C20H21ClF3N3O/c21-14-7-4-8-15(9-14)27-18-10-17(20(22,23)24)16(12-25-18)19(28)26-11-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,25,27)(H,26,28)
InChIKeyWRGZEUBDIMMNBV-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.81
Rot. Bonds5

About 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 44570612) has the molecular formula C20H21ClF3N3O and a molecular weight of 411.86 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID44570612
Molecular FormulaC20H21ClF3N3O
Molecular Weight411.86 g/mol
Exact Mass411.13
IUPAC Name6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C20H21ClF3N3O/c21-14-7-4-8-15(9-14)27-18-10-17(20(22,23)24)16(12-25-18)19(28)26-11-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,25,27)(H,26,28)
InChIKeyWRGZEUBDIMMNBV-UHFFFAOYSA-N
XLogP5.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 44570612) is 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F.
What is the InChIKey of 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WRGZEUBDIMMNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O/c21-14-7-4-8-15(9-14)27-18-10-17(20(22,23)24)16(12-25-18)19(28)26-11-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,25,27)(H,26,28).
What are the key properties of 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 411.86 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-(cyclohexylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44570612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).