N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C19H13ClF3N3O — CID 45485812

IUPACN-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccncc2)c1
InChIInChI=1S/C19H13ClF3N3O/c1-11-14(3-5-17(25-11)19(21,22)23)18(27)26-13-2-4-16(20)15(10-13)12-6-8-24-9-7-12/h2-10H,1H3,(H,26,27)
InChIKeyVCCYMLXGDLEXDH-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.38
Rot. Bonds3

About N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485812) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485812
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC NameN-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccncc2)c1
InChIInChI=1S/C19H13ClF3N3O/c1-11-14(3-5-17(25-11)19(21,22)23)18(27)26-13-2-4-16(20)15(10-13)12-6-8-24-9-7-12/h2-10H,1H3,(H,26,27)
InChIKeyVCCYMLXGDLEXDH-UHFFFAOYSA-N
XLogP5.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485812) is N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccncc2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VCCYMLXGDLEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c1-11-14(3-5-17(25-11)19(21,22)23)18(27)26-13-2-4-16(20)15(10-13)12-6-8-24-9-7-12/h2-10H,1H3,(H,26,27).
What are the key properties of N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 391.78 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-4-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).