N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C17H16N4O3 — CID 135650466

IUPACN-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C17H16N4O3/c1-11-13(12-5-2-3-6-14(12)20-11)9-19-21-16(22)10-18-17(23)15-7-4-8-24-15/h2-9,20H,10H2,1H3,(H,18,23)(H,21,22)/b19-9+
InChIKeyVSVAYWDTNCLTDS-DJKKODMXSA-N
MW324.34 g/mol
LogP1.95
Rot. Bonds5

About N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 135650466) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID135650466
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C17H16N4O3/c1-11-13(12-5-2-3-6-14(12)20-11)9-19-21-16(22)10-18-17(23)15-7-4-8-24-15/h2-9,20H,10H2,1H3,(H,18,23)(H,21,22)/b19-9+
InChIKeyVSVAYWDTNCLTDS-DJKKODMXSA-N
XLogP1.95
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249
Proximicin C
CID 24829332
[4-(3-Carbazol-9-yl-2-hydroxy-propyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 655901
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
CID 2770995
2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethan-1-amine hydrochloride
CID 2770996
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 3157244
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117518
Furan-2-ylmethyl-[2-(1H-indol-3-yl)-ethyl]-amine oxalate
CID 23724322
(E)-N-(2-(2-((1H-indol-3-yl)methylene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135472833

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 135650466) is N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VSVAYWDTNCLTDS-DJKKODMXSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-13(12-5-2-3-6-14(12)20-11)9-19-21-16(22)10-18-17(23)15-7-4-8-24-15/h2-9,20H,10H2,1H3,(H,18,23)(H,21,22)/b19-9+.
What are the key properties of N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 135650466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).