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'}

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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).