4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

C13H14BrN3O — CID 79004078

IUPAC4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)c[nH]2)n1
InChIInChI=1S/C13H14BrN3O/c1-9-4-3-5-11(16-9)8-17(2)13(18)12-6-10(14)7-15-12/h3-7,15H,8H2,1-2H3
InChIKeyOWACTKOGIDBDTF-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.75
Rot. Bonds3

About 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 79004078) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID79004078
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)c[nH]2)n1
InChIInChI=1S/C13H14BrN3O/c1-9-4-3-5-11(16-9)8-17(2)13(18)12-6-10(14)7-15-12/h3-7,15H,8H2,1-2H3
InChIKeyOWACTKOGIDBDTF-UHFFFAOYSA-N
XLogP2.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 43411200
3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103957226
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039
4-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54878086
5-hydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004030
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 79380607
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 47389226

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (CID 79004078) is 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is Cc1cccc(CN(C)C(=O)c2cc(Br)c[nH]2)n1.
What is the InChIKey of 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OWACTKOGIDBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-4-3-5-11(16-9)8-17(2)13(18)12-6-10(14)7-15-12/h3-7,15H,8H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79004078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).