6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide

C24H25F3N4O2 — CID 44633314

IUPAC6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C(F)(F)F)n2)(C4)C3)n1
InChIInChI=1S/C24H25F3N4O2/c1-14-4-2-5-17(28-14)20(32)30-22-9-15-8-16(10-22)12-23(11-15,13-22)31-21(33)18-6-3-7-19(29-18)24(25,26)27/h2-7,15-16H,8-13H2,1H3,(H,30,32)(H,31,33)
InChIKeyDYGCGLVHDABWQO-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.06
Rot. Bonds4

About 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide

6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide (PubChem CID 44633314) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide
PubChem CID44633314
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C(F)(F)F)n2)(C4)C3)n1
InChIInChI=1S/C24H25F3N4O2/c1-14-4-2-5-17(28-14)20(32)30-22-9-15-8-16(10-22)12-23(11-15,13-22)31-21(33)18-6-3-7-19(29-18)24(25,26)27/h2-7,15-16H,8-13H2,1H3,(H,30,32)(H,31,33)
InChIKeyDYGCGLVHDABWQO-UHFFFAOYSA-N
XLogP4.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide (CID 44633314) is 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C(F)(F)F)n2)(C4)C3)n1.
What is the InChIKey of 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide?
The InChIKey is DYGCGLVHDABWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-14-4-2-5-17(28-14)20(32)30-22-9-15-8-16(10-22)12-23(11-15,13-22)31-21(33)18-6-3-7-19(29-18)24(25,26)27/h2-7,15-16H,8-13H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide?
6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-adamantyl]pyridine-2-carboxamide is sourced from PubChem (CID 44633314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).