N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide

C13H11F3N2O — CID 142831770

IUPACN-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1=c2ccncc2=CC=CC1)C(F)(F)F
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)12(19)18-8-10-4-2-1-3-9-7-17-6-5-11(9)10/h1-3,5-7H,4,8H2,(H,18,19)
InChIKeyURLGOUYVXZRXNH-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.65
Rot. Bonds2

About N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide

N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 142831770) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide
PubChem CID142831770
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC NameN-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1=c2ccncc2=CC=CC1)C(F)(F)F
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)12(19)18-8-10-4-2-1-3-9-7-17-6-5-11(9)10/h1-3,5-7H,4,8H2,(H,18,19)
InChIKeyURLGOUYVXZRXNH-UHFFFAOYSA-N
XLogP0.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane
CID 142831769
N-(3H-azepin-4-ylmethyl)acetamide
CID 143108270
6,8-Dihydropyrido[3,4-c]azepin-7-one
CID 157349684

Frequently Asked Questions

What is the IUPAC name of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide (CID 142831770) is N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC1=c2ccncc2=CC=CC1)C(F)(F)F.
What is the InChIKey of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is URLGOUYVXZRXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)12(19)18-8-10-4-2-1-3-9-7-17-6-5-11(9)10/h1-3,5-7H,4,8H2,(H,18,19).
What are the key properties of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide?
N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 268.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142831770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).