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

C17H15F2N5O — CID 122441030

IUPACN-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C17H15F2N5O/c18-14-4-1-5-15(19)13(14)10-24-11-16(22-23-24)21-17(25)7-6-12-3-2-8-20-9-12/h1-5,8-9,11H,6-7,10H2,(H,21,25)
InChIKeyOMFJOFLCNIPYCO-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.57
Rot. Bonds6

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

N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide (PubChem CID 122441030) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide
PubChem CID122441030
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C17H15F2N5O/c18-14-4-1-5-15(19)13(14)10-24-11-16(22-23-24)21-17(25)7-6-12-3-2-8-20-9-12/h1-5,8-9,11H,6-7,10H2,(H,21,25)
InChIKeyOMFJOFLCNIPYCO-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
CID 54446474
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
CID 111566159
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 112530359
N-(1-methyltriazol-4-yl)-2-pyridin-3-ylacetamide
CID 112535349
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
CID 9207905

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide (CID 122441030) is N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is OMFJOFLCNIPYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-14-4-1-5-15(19)13(14)10-24-11-16(22-23-24)21-17(25)7-6-12-3-2-8-20-9-12/h1-5,8-9,11H,6-7,10H2,(H,21,25).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide?
N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 343.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 122441030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).