3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide

C15H11BrN4O — CID 107518337

IUPAC3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)c1ncccc1Br
InChIInChI=1S/C15H11BrN4O/c16-12-2-1-7-18-14(12)15(21)20-11-5-3-10(4-6-11)13-8-17-9-19-13/h1-9H,(H,17,19)(H,20,21)
InChIKeyQRZIPIBXPKAXFQ-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.49
Rot. Bonds3

About 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide

3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 107518337) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID107518337
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)c1ncccc1Br
InChIInChI=1S/C15H11BrN4O/c16-12-2-1-7-18-14(12)15(21)20-11-5-3-10(4-6-11)13-8-17-9-19-13/h1-9H,(H,17,19)(H,20,21)
InChIKeyQRZIPIBXPKAXFQ-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
CID 60666058
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 62232925
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 79954389
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide
CID 90105435
N-[4-(1H-imidazol-5-yl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60666303
3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518369
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 55206350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide (CID 107518337) is 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(-c2cnc[nH]2)cc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is QRZIPIBXPKAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-12-2-1-7-18-14(12)15(21)20-11-5-3-10(4-6-11)13-8-17-9-19-13/h1-9H,(H,17,19)(H,20,21).
What are the key properties of 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).