5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide

C17H15BrN6O2 — CID 43064394

IUPAC5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1)n1cncn1
InChIInChI=1S/C17H15BrN6O2/c1-11(24-10-20-9-21-24)16(25)22-14-2-4-15(5-3-14)23-17(26)12-6-13(18)8-19-7-12/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKeyZMEXCLMMPGCGCG-UHFFFAOYSA-N
MW415.25 g/mol
LogP2.89
Rot. Bonds5

About 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide

5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 43064394) has the molecular formula C17H15BrN6O2 and a molecular weight of 415.25 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
PubChem CID43064394
Molecular FormulaC17H15BrN6O2
Molecular Weight415.25 g/mol
Exact Mass414.04
IUPAC Name5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1)n1cncn1
InChIInChI=1S/C17H15BrN6O2/c1-11(24-10-20-9-21-24)16(25)22-14-2-4-15(5-3-14)23-17(26)12-6-13(18)8-19-7-12/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKeyZMEXCLMMPGCGCG-UHFFFAOYSA-N
XLogP2.89
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55622456
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 43068703
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
1,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 43074233
2,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoxaline-6-carboxamide
CID 55652859
N-(4-bromo-3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113231155
3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46431579
3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064718
4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43071024
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
CID 43071048
5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 43071036

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide (CID 43064394) is 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide is CC(C(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1)n1cncn1.
What is the InChIKey of 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is ZMEXCLMMPGCGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN6O2/c1-11(24-10-20-9-21-24)16(25)22-14-2-4-15(5-3-14)23-17(26)12-6-13(18)8-19-7-12/h2-11H,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 415.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 43064394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).