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

C21H17BrN4O — CID 53197060

IUPAC3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCC(NC(=O)c1ccn2c(-c3ccccc3Br)nnc2c1)c1ccccc1
InChIInChI=1S/C21H17BrN4O/c1-14(15-7-3-2-4-8-15)23-21(27)16-11-12-26-19(13-16)24-25-20(26)17-9-5-6-10-18(17)22/h2-14H,1H3,(H,23,27)
InChIKeyZWVYTNMJCXCZLQ-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.65
Rot. Bonds4

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

3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 53197060) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID53197060
Molecular FormulaC21H17BrN4O
Molecular Weight421.30 g/mol
Exact Mass420.06
IUPAC Name3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCC(NC(=O)c1ccn2c(-c3ccccc3Br)nnc2c1)c1ccccc1
InChIInChI=1S/C21H17BrN4O/c1-14(15-7-3-2-4-8-15)23-21(27)16-11-12-26-19(13-16)24-25-20(26)17-9-5-6-10-18(17)22/h2-14H,1H3,(H,23,27)
InChIKeyZWVYTNMJCXCZLQ-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 95112953
3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197091
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 140676211
N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 95112957
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 53197060) is 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is CC(NC(=O)c1ccn2c(-c3ccccc3Br)nnc2c1)c1ccccc1.
What is the InChIKey of 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is ZWVYTNMJCXCZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-14(15-7-3-2-4-8-15)23-21(27)16-11-12-26-19(13-16)24-25-20(26)17-9-5-6-10-18(17)22/h2-14H,1H3,(H,23,27).
What are the key properties of 3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 4.65, 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-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 53197060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).