4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide

C14H14BrN3O — CID 91672921

IUPAC4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(Br)c(-c2ccncc2)n1C1CC1
InChIInChI=1S/C14H14BrN3O/c1-8-11(14(16)19)12(15)13(18(8)10-2-3-10)9-4-6-17-7-5-9/h4-7,10H,2-3H2,1H3,(H2,16,19)
InChIKeyOFBNHEYHJSQRCY-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.05
Rot. Bonds3

About 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide

4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide (PubChem CID 91672921) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
PubChem CID91672921
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(Br)c(-c2ccncc2)n1C1CC1
InChIInChI=1S/C14H14BrN3O/c1-8-11(14(16)19)12(15)13(18(8)10-2-3-10)9-4-6-17-7-5-9/h4-7,10H,2-3H2,1H3,(H2,16,19)
InChIKeyOFBNHEYHJSQRCY-UHFFFAOYSA-N
XLogP3.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide (CID 91672921) is 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(Br)c(-c2ccncc2)n1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
The InChIKey is OFBNHEYHJSQRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-11(14(16)19)12(15)13(18(8)10-2-3-10)9-4-6-17-7-5-9/h4-7,10H,2-3H2,1H3,(H2,16,19).
What are the key properties of 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide?
4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 91672921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).