(E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

C13H11BrN2O3 — CID 2511066

IUPAC(E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cn1
InChIInChI=1S/C13H11BrN2O3/c1-18-13-7-2-9(8-15-13)16-12(17)6-4-10-3-5-11(14)19-10/h2-8H,1H3,(H,16,17)/b6-4+
InChIKeyYGXULFNDLNZEOT-GQCTYLIASA-N
MW323.15 g/mol
LogP3.10
Rot. Bonds4

About (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 2511066) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID2511066
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cn1
InChIInChI=1S/C13H11BrN2O3/c1-18-13-7-2-9(8-15-13)16-12(17)6-4-10-3-5-11(14)19-10/h2-8H,1H3,(H,16,17)/b6-4+
InChIKeyYGXULFNDLNZEOT-GQCTYLIASA-N
XLogP3.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide with MolForge

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Related Compounds

(E)-N-(2-chloropyridin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 667889
N-(6-methoxypyridin-3-yl)furan-2-carboxamide
CID 4780428
2-Furancarboxamide, N-3-pyridinyl-
CID 148023
2-methyl-N-(pyridin-3-yl)furan-3-carboxamide
CID 573291
N-[(furan-2-yl)methyl]pyridin-3-amine
CID 4962056
4,5-dibromo-N-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
CID 2093042
(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)acrylamide
CID 2117442
3-(5-methyl-2-furyl)-N-(2-pyridinylmethyl)acrylamide
CID 844091
3-(5-methyl-2-furyl)-N-(3-pyridinyl)acrylamide
CID 868699
3-Furan-2-yl-N-pyridin-3-yl-acrylamide
CID 839821
3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide
CID 896633
(E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2254887

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (CID 2511066) is (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cn1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is YGXULFNDLNZEOT-GQCTYLIASA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-18-13-7-2-9(8-15-13)16-12(17)6-4-10-3-5-11(14)19-10/h2-8H,1H3,(H,16,17)/b6-4+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 323.15 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 2511066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).