6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide

C17H15BrN4O — CID 75395653

IUPAC6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(Br)n1
InChIInChI=1S/C17H15BrN4O/c18-16-6-2-5-15(21-16)17(23)20-10-13-3-1-4-14(9-13)11-22-8-7-19-12-22/h1-9,12H,10-11H2,(H,20,23)
InChIKeyTXINWMIMCQEMMK-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.02
Rot. Bonds5

About 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide

6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 75395653) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID75395653
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(Br)n1
InChIInChI=1S/C17H15BrN4O/c18-16-6-2-5-15(21-16)17(23)20-10-13-3-1-4-14(9-13)11-22-8-7-19-12-22/h1-9,12H,10-11H2,(H,20,23)
InChIKeyTXINWMIMCQEMMK-UHFFFAOYSA-N
XLogP3.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
4-bromo-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]benzamide
CID 55924073
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 55853074
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
methyl 3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate
CID 36889124
2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55601134

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide (CID 75395653) is 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is TXINWMIMCQEMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c18-16-6-2-5-15(21-16)17(23)20-10-13-3-1-4-14(9-13)11-22-8-7-19-12-22/h1-9,12H,10-11H2,(H,20,23).
What are the key properties of 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 75395653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).