N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide

C13H16F3N5O — CID 94758235

IUPACN-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
SMILESCc1cnc2c(c1)nc(C(F)(F)F)n2CCC(=O)NCCN
InChIInChI=1S/C13H16F3N5O/c1-8-6-9-11(19-7-8)21(12(20-9)13(14,15)16)5-2-10(22)18-4-3-17/h6-7H,2-5,17H2,1H3,(H,18,22)
InChIKeyLTUSHISUEIJCBG-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.22
Rot. Bonds5

About N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide

N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide (PubChem CID 94758235) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
PubChem CID94758235
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
SMILESCc1cnc2c(c1)nc(C(F)(F)F)n2CCC(=O)NCCN
InChIInChI=1S/C13H16F3N5O/c1-8-6-9-11(19-7-8)21(12(20-9)13(14,15)16)5-2-10(22)18-4-3-17/h6-7H,2-5,17H2,1H3,(H,18,22)
InChIKeyLTUSHISUEIJCBG-UHFFFAOYSA-N
XLogP1.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide (CID 94758235) is N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide is Cc1cnc2c(c1)nc(C(F)(F)F)n2CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The InChIKey is LTUSHISUEIJCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-8-6-9-11(19-7-8)21(12(20-9)13(14,15)16)5-2-10(22)18-4-3-17/h6-7H,2-5,17H2,1H3,(H,18,22).
What are the key properties of N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide has a molecular weight of 315.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanamide is sourced from PubChem (CID 94758235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).