N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide

C15H13FN6O — CID 10041196

IUPACN-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide
SMILESO=C(CNc1n[nH]c(-c2ccncc2)n1)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN6O/c16-11-2-1-3-12(8-11)19-13(23)9-18-15-20-14(21-22-15)10-4-6-17-7-5-10/h1-8H,9H2,(H,19,23)(H2,18,20,21,22)
InChIKeyWXLWCRJEIWGJMD-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.06
Rot. Bonds5

About N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide

N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide (PubChem CID 10041196) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide
PubChem CID10041196
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC NameN-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide
SMILESO=C(CNc1n[nH]c(-c2ccncc2)n1)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN6O/c16-11-2-1-3-12(8-11)19-13(23)9-18-15-20-14(21-22-15)10-4-6-17-7-5-10/h1-8H,9H2,(H,19,23)(H2,18,20,21,22)
InChIKeyWXLWCRJEIWGJMD-UHFFFAOYSA-N
XLogP2.06
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
CID 10086929
N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-imidazol-2-yl)amino]acetamide
CID 10267452
N-(3-fluorophenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110862703
2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 11537271
2-(2-chloro-6-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 104530695
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
N-(3-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7398319
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2087888
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide (CID 10041196) is N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide is O=C(CNc1n[nH]c(-c2ccncc2)n1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide?
The InChIKey is WXLWCRJEIWGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-11-2-1-3-12(8-11)19-13(23)9-18-15-20-14(21-22-15)10-4-6-17-7-5-10/h1-8H,9H2,(H,19,23)(H2,18,20,21,22).
What are the key properties of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide?
N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide has a molecular weight of 312.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide is sourced from PubChem (CID 10041196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).