5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide

C14H14IN3O2 — CID 163584737

IUPAC5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(O)ccc2[nH]1)C1=CNI=C1
InChIInChI=1S/C14H14IN3O2/c1-8(10-6-15-16-7-10)17-14(20)13-5-9-4-11(19)2-3-12(9)18-13/h2-8,16,18-19H,1H3,(H,17,20)
InChIKeyGKODBCNVESGHKU-UHFFFAOYSA-N
MW383.19 g/mol
LogP2.17
Rot. Bonds3

About 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide

5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 163584737) has the molecular formula C14H14IN3O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID163584737
Molecular FormulaC14H14IN3O2
Molecular Weight383.19 g/mol
Exact Mass383.01
IUPAC Name5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(O)ccc2[nH]1)C1=CNI=C1
InChIInChI=1S/C14H14IN3O2/c1-8(10-6-15-16-7-10)17-14(20)13-5-9-4-11(19)2-3-12(9)18-13/h2-8,16,18-19H,1H3,(H,17,20)
InChIKeyGKODBCNVESGHKU-UHFFFAOYSA-N
XLogP2.17
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1H-indole-2-carbohydrazide
CID 10877952
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide (CID 163584737) is 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(O)ccc2[nH]1)C1=CNI=C1.
What is the InChIKey of 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is GKODBCNVESGHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O2/c1-8(10-6-15-16-7-10)17-14(20)13-5-9-4-11(19)2-3-12(9)18-13/h2-8,16,18-19H,1H3,(H,17,20).
What are the key properties of 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide?
5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 383.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[1-(1λ3-ioda-2-azacyclopenta-3,5-dien-4-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 163584737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).