N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C21H21N3O2 — CID 97441819

IUPACN-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c(C(=O)Nc2cccc(O)c2)cc2c1c1ccccc1n2C
InChIInChI=1S/C21H21N3O2/c1-13(2)24-19(21(26)22-14-7-6-8-15(25)11-14)12-18-20(24)16-9-4-5-10-17(16)23(18)3/h4-13,25H,1-3H3,(H,22,26)
InChIKeyPCSOFNVZMJMYOH-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.67
Rot. Bonds3

About N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441819) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441819
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c(C(=O)Nc2cccc(O)c2)cc2c1c1ccccc1n2C
InChIInChI=1S/C21H21N3O2/c1-13(2)24-19(21(26)22-14-7-6-8-15(25)11-14)12-18-20(24)16-9-4-5-10-17(16)23(18)3/h4-13,25H,1-3H3,(H,22,26)
InChIKeyPCSOFNVZMJMYOH-UHFFFAOYSA-N
XLogP4.67
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361292
2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441838
N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361332
N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407117
4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833248
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361390
N-(3-acetamidophenyl)-1,2-dimethylindole-3-carboxamide
CID 110762600
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97441819) is N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is CC(C)n1c(C(=O)Nc2cccc(O)c2)cc2c1c1ccccc1n2C.
What is the InChIKey of N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is PCSOFNVZMJMYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)24-19(21(26)22-14-7-6-8-15(25)11-14)12-18-20(24)16-9-4-5-10-17(16)23(18)3/h4-13,25H,1-3H3,(H,22,26).
What are the key properties of N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).