1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide

C18H18FN5O2 — CID 25289510

IUPAC1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(Cc2ccccc2F)nn1)Oc1cccnc1
InChIInChI=1S/C18H18FN5O2/c1-13(26-15-6-4-8-20-10-15)9-21-18(25)17-12-24(23-22-17)11-14-5-2-3-7-16(14)19/h2-8,10,12-13H,9,11H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyBBBOATHMRWBCGS-ZDUSSCGKSA-N
MW355.37 g/mol
LogP2.06
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide (PubChem CID 25289510) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
PubChem CID25289510
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(Cc2ccccc2F)nn1)Oc1cccnc1
InChIInChI=1S/C18H18FN5O2/c1-13(26-15-6-4-8-20-10-15)9-21-18(25)17-12-24(23-22-17)11-14-5-2-3-7-16(14)19/h2-8,10,12-13H,9,11H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyBBBOATHMRWBCGS-ZDUSSCGKSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42291201
1-[(2-methylphenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42533380
1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
CID 42465768
ethyl (3S)-3-[[1-[(2-fluorophenyl)methyl]triazole-4-carbonyl]amino]butanoate
CID 95722583
1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 25277558
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 45204441
1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide
CID 26390849
1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 134046082

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide (CID 25289510) is 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide is C[C@@H](CNC(=O)c1cn(Cc2ccccc2F)nn1)Oc1cccnc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
The InChIKey is BBBOATHMRWBCGS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-13(26-15-6-4-8-20-10-15)9-21-18(25)17-12-24(23-22-17)11-14-5-2-3-7-16(14)19/h2-8,10,12-13H,9,11H2,1H3,(H,21,25)/t13-/m0/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide is sourced from PubChem (CID 25289510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).