3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide

C17H17F2N5O — CID 122441034

IUPAC3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide
SMILESNC(=O)CCC1=CCN(c2cn(Cc3c(F)cccc3F)nn2)C=C1
InChIInChI=1S/C17H17F2N5O/c18-14-2-1-3-15(19)13(14)10-24-11-17(21-22-24)23-8-6-12(7-9-23)4-5-16(20)25/h1-3,6-8,11H,4-5,9-10H2,(H2,20,25)
InChIKeyOIZIWVXRWWOLNG-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.13
Rot. Bonds6

About 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide

3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide (PubChem CID 122441034) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide.

Molecular Properties

Compound Name3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide
PubChem CID122441034
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide
SMILESNC(=O)CCC1=CCN(c2cn(Cc3c(F)cccc3F)nn2)C=C1
InChIInChI=1S/C17H17F2N5O/c18-14-2-1-3-15(19)13(14)10-24-11-17(21-22-24)23-8-6-12(7-9-23)4-5-16(20)25/h1-3,6-8,11H,4-5,9-10H2,(H2,20,25)
InChIKeyOIZIWVXRWWOLNG-UHFFFAOYSA-N
XLogP2.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide?
The IUPAC name of 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide (CID 122441034) is 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide.
What is the SMILES notation for 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide?
The canonical SMILES for 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide is NC(=O)CCC1=CCN(c2cn(Cc3c(F)cccc3F)nn2)C=C1.
What is the InChIKey of 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide?
The InChIKey is OIZIWVXRWWOLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c18-14-2-1-3-15(19)13(14)10-24-11-17(21-22-24)23-8-6-12(7-9-23)4-5-16(20)25/h1-3,6-8,11H,4-5,9-10H2,(H2,20,25).
What are the key properties of 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide?
3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide has a molecular weight of 345.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide is sourced from PubChem (CID 122441034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).