N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide

C23H21N3O3 — CID 11639631

IUPACN-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide
SMILESO=C(NO)c1ccc(C#CC2(NC(=O)c3cc4ccccc4[nH]3)CCCC2)cc1
InChIInChI=1S/C23H21N3O3/c27-21(26-29)17-9-7-16(8-10-17)11-14-23(12-3-4-13-23)25-22(28)20-15-18-5-1-2-6-19(18)24-20/h1-2,5-10,15,24,29H,3-4,12-13H2,(H,25,28)(H,26,27)
InChIKeyOXSHUUVHAAXLSN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.38
Rot. Bonds3

About N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide

N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide (PubChem CID 11639631) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide
PubChem CID11639631
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide
SMILESO=C(NO)c1ccc(C#CC2(NC(=O)c3cc4ccccc4[nH]3)CCCC2)cc1
InChIInChI=1S/C23H21N3O3/c27-21(26-29)17-9-7-16(8-10-17)11-14-23(12-3-4-13-23)25-22(28)20-15-18-5-1-2-6-19(18)24-20/h1-2,5-10,15,24,29H,3-4,12-13H2,(H,25,28)(H,26,27)
InChIKeyOXSHUUVHAAXLSN-UHFFFAOYSA-N
XLogP3.38
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide
CID 11610782
N-(4-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 114696538
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-(1-cyanocyclohexyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 86913761
methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate
CID 24967591
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
CID 42280319
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165050
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
2-(sulfinatocarbamoyl)-1H-indole
CID 174607158
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide (CID 11639631) is N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide is O=C(NO)c1ccc(C#CC2(NC(=O)c3cc4ccccc4[nH]3)CCCC2)cc1.
What is the InChIKey of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide?
The InChIKey is OXSHUUVHAAXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-21(26-29)17-9-7-16(8-10-17)11-14-23(12-3-4-13-23)25-22(28)20-15-18-5-1-2-6-19(18)24-20/h1-2,5-10,15,24,29H,3-4,12-13H2,(H,25,28)(H,26,27).
What are the key properties of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide?
N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11639631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).