4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide

C15H18BrN3O2 — CID 91672920

IUPAC4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
SMILESCOCCCn1c(C)c(C(N)=O)c(Br)c1-c1ccncc1
InChIInChI=1S/C15H18BrN3O2/c1-10-12(15(17)20)13(16)14(11-4-6-18-7-5-11)19(10)8-3-9-21-2/h4-7H,3,8-9H2,1-2H3,(H2,17,20)
InChIKeyLRHFTZCOVRZFNM-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.76
Rot. Bonds6

About 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide

4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide (PubChem CID 91672920) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
PubChem CID91672920
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
SMILESCOCCCn1c(C)c(C(N)=O)c(Br)c1-c1ccncc1
InChIInChI=1S/C15H18BrN3O2/c1-10-12(15(17)20)13(16)14(11-4-6-18-7-5-11)19(10)8-3-9-21-2/h4-7H,3,8-9H2,1-2H3,(H2,17,20)
InChIKeyLRHFTZCOVRZFNM-UHFFFAOYSA-N
XLogP2.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
The IUPAC name of 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide (CID 91672920) is 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide is COCCCn1c(C)c(C(N)=O)c(Br)c1-c1ccncc1.
What is the InChIKey of 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
The InChIKey is LRHFTZCOVRZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-12(15(17)20)13(16)14(11-4-6-18-7-5-11)19(10)8-3-9-21-2/h4-7H,3,8-9H2,1-2H3,(H2,17,20).
What are the key properties of 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 91672920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).