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

C15H13FN4O — CID 84577604

IUPACN-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nnc2cc(C(=O)NCc3ccccc3F)ccn12
InChIInChI=1S/C15H13FN4O/c1-10-18-19-14-8-11(6-7-20(10)14)15(21)17-9-12-4-2-3-5-13(12)16/h2-8H,9H2,1H3,(H,17,21)
InChIKeySCEKFJZLVZGOOX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.11
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 84577604) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID84577604
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nnc2cc(C(=O)NCc3ccccc3F)ccn12
InChIInChI=1S/C15H13FN4O/c1-10-18-19-14-8-11(6-7-20(10)14)15(21)17-9-12-4-2-3-5-13(12)16/h2-8H,9H2,1H3,(H,17,21)
InChIKeySCEKFJZLVZGOOX-UHFFFAOYSA-N
XLogP2.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197091
N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 146264135
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530116
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 84577604) is N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1nnc2cc(C(=O)NCc3ccccc3F)ccn12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is SCEKFJZLVZGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-10-18-19-14-8-11(6-7-20(10)14)15(21)17-9-12-4-2-3-5-13(12)16/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 84577604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).