4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

C15H18BrN3O2 — CID 60955229

IUPAC4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H18BrN3O2/c1-18-10-12(16)9-14(18)15(20)19(7-8-21-2)11-13-5-3-4-6-17-13/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyGQKHOLADFFKDLN-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.47
Rot. Bonds6

About 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 60955229) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID60955229
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H18BrN3O2/c1-18-10-12(16)9-14(18)15(20)19(7-8-21-2)11-13-5-3-4-6-17-13/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyGQKHOLADFFKDLN-UHFFFAOYSA-N
XLogP2.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 60955229) is 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is COCCN(Cc1ccccn1)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is GQKHOLADFFKDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-18-10-12(16)9-14(18)15(20)19(7-8-21-2)11-13-5-3-4-6-17-13/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).