5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide

C16H14N2O2 — CID 11402873

IUPAC5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccc(CO)c2)cc2cc[nH]c12
InChIInChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-4-5-18-15(12)14)11-3-1-2-10(6-11)9-19/h1-8,18-19H,9H2,(H2,17,20)
InChIKeyOZUKSMOQTGVDDM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.43
Rot. Bonds3

About 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide

5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide (PubChem CID 11402873) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide
PubChem CID11402873
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccc(CO)c2)cc2cc[nH]c12
InChIInChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-4-5-18-15(12)14)11-3-1-2-10(6-11)9-19/h1-8,18-19H,9H2,(H2,17,20)
InChIKeyOZUKSMOQTGVDDM-UHFFFAOYSA-N
XLogP2.43
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Carboxylic Acid
CID 69867
3-(Hydroxyacetyl)Indole
CID 200631
Carmoxirole
CID 57364
1H-Indole-7-carboxylic acid
CID 74281
1H-Indole-5-Carboxylic Acid
CID 74280
5-Carboxamidotryptamine maleate
CID 11709509
4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
CID 2176047
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
(3Z)-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indole-5-carboxylic acid
CID 5331098
Pyrrolopyridine, 31
CID 16720315
6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid
CID 444763
5-Carboxytryptamine
CID 19605739

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide (CID 11402873) is 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide is NC(=O)c1cc(-c2cccc(CO)c2)cc2cc[nH]c12.
What is the InChIKey of 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is OZUKSMOQTGVDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-4-5-18-15(12)14)11-3-1-2-10(6-11)9-19/h1-8,18-19H,9H2,(H2,17,20).
What are the key properties of 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide?
5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 11402873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).