6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C17H14F3N5OS — CID 11524022

IUPAC6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C)nc2C(=O)Nc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C17H14F3N5OS/c1-9-3-5-11(7-21-9)23-12-6-4-10(2)22-14(12)15(26)25-16-24-13(8-27-16)17(18,19)20/h3-8,23H,1-2H3,(H,24,25,26)
InChIKeyZLCFQPIVNJVQCN-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.56
Rot. Bonds4

About 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 11524022) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID11524022
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC Name6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C)nc2C(=O)Nc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C17H14F3N5OS/c1-9-3-5-11(7-21-9)23-12-6-4-10(2)22-14(12)15(26)25-16-24-13(8-27-16)17(18,19)20/h3-8,23H,1-2H3,(H,24,25,26)
InChIKeyZLCFQPIVNJVQCN-UHFFFAOYSA-N
XLogP4.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 11524022) is 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C)nc2C(=O)Nc2nc(C(F)(F)F)cs2)cn1.
What is the InChIKey of 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is ZLCFQPIVNJVQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-9-3-5-11(7-21-9)23-12-6-4-10(2)22-14(12)15(26)25-16-24-13(8-27-16)17(18,19)20/h3-8,23H,1-2H3,(H,24,25,26).
What are the key properties of 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 11524022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).