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

C18H18FN5O2 — CID 42291201

IUPAC1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
SMILESO=C(NCCCOc1cccnc1)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C18H18FN5O2/c19-16-7-2-1-5-14(16)12-24-13-17(22-23-24)18(25)21-9-4-10-26-15-6-3-8-20-11-15/h1-3,5-8,11,13H,4,9-10,12H2,(H,21,25)
InChIKeyMTTBVULJVVICSN-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.06
Rot. Bonds8

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

1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide (PubChem CID 42291201) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
PubChem CID42291201
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
SMILESO=C(NCCCOc1cccnc1)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C18H18FN5O2/c19-16-7-2-1-5-14(16)12-24-13-17(22-23-24)18(25)21-9-4-10-26-15-6-3-8-20-11-15/h1-3,5-8,11,13H,4,9-10,12H2,(H,21,25)
InChIKeyMTTBVULJVVICSN-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylphenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42533380
1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
CID 25289510
1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
CID 42465768
1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42197797
1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 25277558
methyl 4-[[1-(naphthalen-1-ylmethyl)triazole-4-carbonyl]amino]butanoate
CID 42215304
2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
CID 119067728
ethyl (3S)-3-[[1-[(2-fluorophenyl)methyl]triazole-4-carbonyl]amino]butanoate
CID 95722583
1-methyl-5-oxo-N-(3-pyridin-3-yloxypropyl)-4H-1,2,4-triazole-3-carboxamide
CID 156584225
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
N-[2-(4-fluorophenoxy)ethyl]-1-methyltriazole-4-carboxamide
CID 45497185

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide (CID 42291201) is 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide is O=C(NCCCOc1cccnc1)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
The InChIKey is MTTBVULJVVICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-16-7-2-1-5-14(16)12-24-13-17(22-23-24)18(25)21-9-4-10-26-15-6-3-8-20-11-15/h1-3,5-8,11,13H,4,9-10,12H2,(H,21,25).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.06, 8 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-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide is sourced from PubChem (CID 42291201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).