2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide

C15H12BrN3O2 — CID 91959017

IUPAC2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccncc2)cc2oc(Br)cc21
InChIInChI=1S/C15H12BrN3O2/c1-2-7-19-11-9-14(16)21-13(11)8-12(19)15(20)18-10-3-5-17-6-4-10/h2-6,8-9H,1,7H2,(H,17,18,20)
InChIKeyPXLPFOMCDRJSCC-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.83
Rot. Bonds4

About 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91959017) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91959017
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccncc2)cc2oc(Br)cc21
InChIInChI=1S/C15H12BrN3O2/c1-2-7-19-11-9-14(16)21-13(11)8-12(19)15(20)18-10-3-5-17-6-4-10/h2-6,8-9H,1,7H2,(H,17,18,20)
InChIKeyPXLPFOMCDRJSCC-UHFFFAOYSA-N
XLogP3.83
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959028
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959003
2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958944
2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958920
2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959024
(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 91959016
2-bromo-4-prop-2-enyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039859
4-benzyl-2-bromo-N-(2-butan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959051
1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide
CID 86225735
N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53084910
2-methyl-4-prop-2-enyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848666
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide (CID 91959017) is 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)Nc2ccncc2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PXLPFOMCDRJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-2-7-19-11-9-14(16)21-13(11)8-12(19)15(20)18-10-3-5-17-6-4-10/h2-6,8-9H,1,7H2,(H,17,18,20).
What are the key properties of 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91959017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).