2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide

C12H12BrN3O — CID 103755664

IUPAC2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc1CNC(=O)c1cccnc1Br
InChIInChI=1S/C12H12BrN3O/c1-16-7-3-4-9(16)8-15-12(17)10-5-2-6-14-11(10)13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyVZDSPXMLCVGIOF-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.11
Rot. Bonds3

About 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide

2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 103755664) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID103755664
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc1CNC(=O)c1cccnc1Br
InChIInChI=1S/C12H12BrN3O/c1-16-7-3-4-9(16)8-15-12(17)10-5-2-6-14-11(10)13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyVZDSPXMLCVGIOF-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 103713431
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 103752450
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide (CID 103755664) is 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide is Cn1cccc1CNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VZDSPXMLCVGIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-16-7-3-4-9(16)8-15-12(17)10-5-2-6-14-11(10)13/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103755664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).