2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C16H10ClF3N6O — CID 88993281

IUPAC2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C16H10ClF3N6O/c1-8-22-13(10-4-2-3-7-21-10)25-15(23-8)26-14(27)9-5-6-11(16(18,19)20)24-12(9)17/h2-7H,1H3,(H,22,23,25,26,27)
InChIKeyLMWWLSOBOWNYET-UHFFFAOYSA-N
MW394.74 g/mol
LogP3.56
Rot. Bonds3

About 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 88993281) has the molecular formula C16H10ClF3N6O and a molecular weight of 394.74 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID88993281
Molecular FormulaC16H10ClF3N6O
Molecular Weight394.74 g/mol
Exact Mass394.06
IUPAC Name2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C16H10ClF3N6O/c1-8-22-13(10-4-2-3-7-21-10)25-15(23-8)26-14(27)9-5-6-11(16(18,19)20)24-12(9)17/h2-7H,1H3,(H,22,23,25,26,27)
InChIKeyLMWWLSOBOWNYET-UHFFFAOYSA-N
XLogP3.56
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 88993281) is 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)nc(-c2ccccn2)n1.
What is the InChIKey of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LMWWLSOBOWNYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N6O/c1-8-22-13(10-4-2-3-7-21-10)25-15(23-8)26-14(27)9-5-6-11(16(18,19)20)24-12(9)17/h2-7H,1H3,(H,22,23,25,26,27).
What are the key properties of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 394.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 88993281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).