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

C21H17BrN4O — CID 53197091

IUPAC3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccn2c(-c3ccccc3Br)nnc2c1
InChIInChI=1S/C21H17BrN4O/c1-14-6-2-3-7-16(14)13-23-21(27)15-10-11-26-19(12-15)24-25-20(26)17-8-4-5-9-18(17)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeyTVEVCXUVVUUSMB-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.40
Rot. Bonds4

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

3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 53197091) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID53197091
Molecular FormulaC21H17BrN4O
Molecular Weight421.30 g/mol
Exact Mass420.06
IUPAC Name3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccn2c(-c3ccccc3Br)nnc2c1
InChIInChI=1S/C21H17BrN4O/c1-14-6-2-3-7-16(14)13-23-21(27)15-10-11-26-19(12-15)24-25-20(26)17-8-4-5-9-18(17)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeyTVEVCXUVVUUSMB-UHFFFAOYSA-N
XLogP4.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577604
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53196971
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197100
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
methyl 3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145231
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963
4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850738

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 53197091) is 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1ccccc1CNC(=O)c1ccn2c(-c3ccccc3Br)nnc2c1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is TVEVCXUVVUUSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-14-6-2-3-7-16(14)13-23-21(27)15-10-11-26-19(12-15)24-25-20(26)17-8-4-5-9-18(17)22/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 53197091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).