N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C14H18F3N3O — CID 114909182

IUPACN-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC1CCCCCC1NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-6-7-12(19-8-9)13(21)20-11-5-3-1-2-4-10(11)18/h6-8,10-11H,1-5,18H2,(H,20,21)
InChIKeyXCMMRMZGYRQWHT-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.49
Rot. Bonds2

About N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114909182) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114909182
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC1CCCCCC1NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-6-7-12(19-8-9)13(21)20-11-5-3-1-2-4-10(11)18/h6-8,10-11H,1-5,18H2,(H,20,21)
InChIKeyXCMMRMZGYRQWHT-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114909182) is N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide is NC1CCCCCC1NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XCMMRMZGYRQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)9-6-7-12(19-8-9)13(21)20-11-5-3-1-2-4-10(11)18/h6-8,10-11H,1-5,18H2,(H,20,21).
What are the key properties of N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114909182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).