N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide

C13H10BrN3O3 — CID 26533748

IUPACN'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(Br)o1)NNC(=O)c1ccccn1
InChIInChI=1S/C13H10BrN3O3/c14-11-6-4-9(20-11)5-7-12(18)16-17-13(19)10-3-1-2-8-15-10/h1-8H,(H,16,18)(H,17,19)/b7-5+
InChIKeyWCRPNTPEBYLRNB-FNORWQNLSA-N
MW336.15 g/mol
LogP1.91
Rot. Bonds3

About N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide

N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide (PubChem CID 26533748) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
PubChem CID26533748
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC NameN'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(Br)o1)NNC(=O)c1ccccn1
InChIInChI=1S/C13H10BrN3O3/c14-11-6-4-9(20-11)5-7-12(18)16-17-13(19)10-3-1-2-8-15-10/h1-8H,(H,16,18)(H,17,19)/b7-5+
InChIKeyWCRPNTPEBYLRNB-FNORWQNLSA-N
XLogP1.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromofuran-2-yl)ethenyl]pyridine-2-carboxamide
CID 77235127
(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 46797124
N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332350
N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
CID 46556732
4-[3-(5-bromofuran-2-yl)prop-2-enoylamino]pyridine-2-carboxylic acid
CID 77003492
1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
N'-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9033515
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 3913025
N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide
CID 35076236
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
(E)-3-(5-bromofuran-2-yl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 31356955

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide (CID 26533748) is N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide is O=C(/C=C/c1ccc(Br)o1)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide?
The InChIKey is WCRPNTPEBYLRNB-FNORWQNLSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-11-6-4-9(20-11)5-7-12(18)16-17-13(19)10-3-1-2-8-15-10/h1-8H,(H,16,18)(H,17,19)/b7-5+.
What are the key properties of N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide?
N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide has a molecular weight of 336.15 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 26533748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).