4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide

C11H11BrN4O — CID 47292396

IUPAC4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1nccc(CNC(=O)c2cc(Br)c[nH]2)n1
InChIInChI=1S/C11H11BrN4O/c1-7-13-3-2-9(16-7)6-15-11(17)10-4-8(12)5-14-10/h2-5,14H,6H2,1H3,(H,15,17)
InChIKeyDMWNVKRGLZGSDX-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.81
Rot. Bonds3

About 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 47292396) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID47292396
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1nccc(CNC(=O)c2cc(Br)c[nH]2)n1
InChIInChI=1S/C11H11BrN4O/c1-7-13-3-2-9(16-7)6-15-11(17)10-4-8(12)5-14-10/h2-5,14H,6H2,1H3,(H,15,17)
InChIKeyDMWNVKRGLZGSDX-UHFFFAOYSA-N
XLogP1.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
4-bromo-1-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrole-2-carboxamide
CID 54902024
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 55046845
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 113250752
6-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 62238643
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 47292396) is 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide is Cc1nccc(CNC(=O)c2cc(Br)c[nH]2)n1.
What is the InChIKey of 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DMWNVKRGLZGSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-13-3-2-9(16-7)6-15-11(17)10-4-8(12)5-14-10/h2-5,14H,6H2,1H3,(H,15,17).
What are the key properties of 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47292396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).