4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

C13H14BrN3O — CID 43411200

IUPAC4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H14BrN3O/c1-17(7-5-11-4-2-3-6-15-11)13(18)12-8-10(14)9-16-12/h2-4,6,8-9,16H,5,7H2,1H3
InChIKeyRECVHALZOBSWDV-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.49
Rot. Bonds4

About 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 43411200) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID43411200
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H14BrN3O/c1-17(7-5-11-4-2-3-6-15-11)13(18)12-8-10(14)9-16-12/h2-4,6,8-9,16H,5,7H2,1H3
InChIKeyRECVHALZOBSWDV-UHFFFAOYSA-N
XLogP2.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 79004078
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 48625263

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (CID 43411200) is 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is CN(CCc1ccccn1)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RECVHALZOBSWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-17(7-5-11-4-2-3-6-15-11)13(18)12-8-10(14)9-16-12/h2-4,6,8-9,16H,5,7H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 2.49, 4 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-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43411200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).