5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide

C17H16N2O2 — CID 173470297

IUPAC5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(-c3ccc(CO)cc3)cc2c1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-10-16(17(18)21)14-8-13(6-7-15(14)19-10)12-4-2-11(9-20)3-5-12/h2-8,19-20H,9H2,1H3,(H2,18,21)
InChIKeyMDDKGCWUTJGFDX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.73
Rot. Bonds3

About 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide

5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 173470297) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID173470297
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(-c3ccc(CO)cc3)cc2c1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-10-16(17(18)21)14-8-13(6-7-15(14)19-10)12-4-2-11(9-20)3-5-12/h2-8,19-20H,9H2,1H3,(H2,18,21)
InChIKeyMDDKGCWUTJGFDX-UHFFFAOYSA-N
XLogP2.73
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311786
[4-(3-amino-1H-indol-5-yl)phenyl]methanol
CID 70796369
3-(2-methyl-5-phenyl-1H-indol-3-yl)propanoic acid
CID 98035044
(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 96678991
2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine
CID 143724299
ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 12537598
5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 70068069
formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide
CID 143724292
3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 90202510
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol
CID 57334587
2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 59285862

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide (CID 173470297) is 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(-c3ccc(CO)cc3)cc2c1C(N)=O.
What is the InChIKey of 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is MDDKGCWUTJGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-16(17(18)21)14-8-13(6-7-15(14)19-10)12-4-2-11(9-20)3-5-12/h2-8,19-20H,9H2,1H3,(H2,18,21).
What are the key properties of 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide?
5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 173470297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).