N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C14H11FN4O — CID 84577641

IUPACN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nnc2cc(C(=O)Nc3cccc(F)c3)ccn12
InChIInChI=1S/C14H11FN4O/c1-9-17-18-13-7-10(5-6-19(9)13)14(20)16-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,16,20)
InChIKeyDTCCMDCVAVPFIV-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.43
Rot. Bonds2

About N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 84577641) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID84577641
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nnc2cc(C(=O)Nc3cccc(F)c3)ccn12
InChIInChI=1S/C14H11FN4O/c1-9-17-18-13-7-10(5-6-19(9)13)14(20)16-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,16,20)
InChIKeyDTCCMDCVAVPFIV-UHFFFAOYSA-N
XLogP2.43
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112524831
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-(1H-indazol-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112527835
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384934
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(3-fluorophenyl)-4-methyl-3-(methylamino)benzamide
CID 146654159
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 84577641) is N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1nnc2cc(C(=O)Nc3cccc(F)c3)ccn12.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is DTCCMDCVAVPFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-9-17-18-13-7-10(5-6-19(9)13)14(20)16-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,16,20).
What are the key properties of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 84577641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).