N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide

C16H14BrN5O2 — CID 60606262

IUPACN-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN5O2/c1-24-15-13(3-2-8-18-15)14(23)20-16-19-10-22(21-16)9-11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyOJGNVSRGXLIUHY-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.74
Rot. Bonds5

About N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide

N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 60606262) has the molecular formula C16H14BrN5O2 and a molecular weight of 388.23 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID60606262
Molecular FormulaC16H14BrN5O2
Molecular Weight388.23 g/mol
Exact Mass387.03
IUPAC NameN-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN5O2/c1-24-15-13(3-2-8-18-15)14(23)20-16-19-10-22(21-16)9-11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyOJGNVSRGXLIUHY-UHFFFAOYSA-N
XLogP2.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide (CID 60606262) is N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is OJGNVSRGXLIUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2/c1-24-15-13(3-2-8-18-15)14(23)20-16-19-10-22(21-16)9-11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3,(H,20,21,23).
What are the key properties of N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide?
N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 388.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 60606262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).