N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C14H10ClFN4O — CID 50743657

IUPACN-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C14H10ClFN4O/c1-8-18-19-13-5-2-9(7-20(8)13)14(21)17-10-3-4-12(16)11(15)6-10/h2-7H,1H3,(H,17,21)
InChIKeyRFGSINHMZGOYAG-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.08
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 50743657) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID50743657
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C14H10ClFN4O/c1-8-18-19-13-5-2-9(7-20(8)13)14(21)17-10-3-4-12(16)11(15)6-10/h2-7H,1H3,(H,17,21)
InChIKeyRFGSINHMZGOYAG-UHFFFAOYSA-N
XLogP3.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluoro-4-iodophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 86880713
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
N-(2-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53006783
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N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
CID 51191615
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75369016
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CID 167246589
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 50743657) is N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RFGSINHMZGOYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c1-8-18-19-13-5-2-9(7-20(8)13)14(21)17-10-3-4-12(16)11(15)6-10/h2-7H,1H3,(H,17,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 304.71 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 50743657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).