N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C21H22N4O2 — CID 76838109

IUPACN-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCC2NCCn1ncc2ccccc21)NO
InChIInChI=1S/C21H22N4O2/c26-21(24-27)10-6-15-5-8-18-16(13-15)7-9-19(18)22-11-12-25-20-4-2-1-3-17(20)14-23-25/h1-6,8,10,13-14,19,22,27H,7,9,11-12H2,(H,24,26)
InChIKeyTXJIKRMGSUNPAL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.83
Rot. Bonds6

About N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 76838109) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID76838109
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCC2NCCn1ncc2ccccc21)NO
InChIInChI=1S/C21H22N4O2/c26-21(24-27)10-6-15-5-8-18-16(13-15)7-9-19(18)22-11-12-25-20-4-2-1-3-17(20)14-23-25/h1-6,8,10,13-14,19,22,27H,7,9,11-12H2,(H,24,26)
InChIKeyTXJIKRMGSUNPAL-UHFFFAOYSA-N
XLogP2.83
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 76838109) is N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is O=C(C=Cc1ccc2c(c1)CCC2NCCn1ncc2ccccc21)NO.
What is the InChIKey of N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is TXJIKRMGSUNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(24-27)10-6-15-5-8-18-16(13-15)7-9-19(18)22-11-12-25-20-4-2-1-3-17(20)14-23-25/h1-6,8,10,13-14,19,22,27H,7,9,11-12H2,(H,24,26).
What are the key properties of N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-(2-indazol-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 76838109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).