N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid

C24H27F3N4O3 — CID 162621415

IUPACN-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)n1.O=C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H23N3O.C7H4F3NO2/c1-11-3-2-4-14(19-11)15(21)20-17-8-12-5-13(9-17)7-16(18,6-12)10-17;8-7(9,10)5-3-1-2-4(11-5)6(12)13/h2-4,12-13H,5-10,18H2,1H3,(H,20,21);1-3H,(H,12,13)
InChIKeyUSCYBPHBFNZSAA-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.97
Rot. Bonds3

About N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid

N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 162621415) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID162621415
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)n1.O=C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H23N3O.C7H4F3NO2/c1-11-3-2-4-14(19-11)15(21)20-17-8-12-5-13(9-17)7-16(18,6-12)10-17;8-7(9,10)5-3-1-2-4(11-5)6(12)13/h2-4,12-13H,5-10,18H2,1H3,(H,20,21);1-3H,(H,12,13)
InChIKeyUSCYBPHBFNZSAA-UHFFFAOYSA-N
XLogP3.97
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 162621415) is N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1cccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)n1.O=C(O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is USCYBPHBFNZSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C7H4F3NO2/c1-11-3-2-4-14(19-11)15(21)20-17-8-12-5-13(9-17)7-16(18,6-12)10-17;8-7(9,10)5-3-1-2-4(11-5)6(12)13/h2-4,12-13H,5-10,18H2,1H3,(H,20,21);1-3H,(H,12,13).
What are the key properties of N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid?
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 476.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 162621415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).