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

C12H12BrN3O — CID 103722013

IUPAC5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3O/c1-16-5-4-9(8-16)6-15-12(17)11-3-2-10(13)7-14-11/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyZLYKDYBLHXUKLD-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.11
Rot. Bonds3

About 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide

5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 103722013) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID103722013
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3O/c1-16-5-4-9(8-16)6-15-12(17)11-3-2-10(13)7-14-11/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyZLYKDYBLHXUKLD-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

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Related Compounds

5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 107257953
5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103721969
6-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 106551470
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103722044
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide (CID 103722013) is 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide is Cn1ccc(CNC(=O)c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZLYKDYBLHXUKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-16-5-4-9(8-16)6-15-12(17)11-3-2-10(13)7-14-11/h2-5,7-8H,6H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-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 5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103722013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).