N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide

C21H19N3O2 — CID 59425200

IUPACN-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21
InChIInChI=1S/C21H19N3O2/c1-2-24-19-11-16(25)9-10-17(19)18(12-22)20(24)13-5-7-15(8-6-13)23-21(26)14-3-4-14/h5-11,14,25H,2-4H2,1H3,(H,23,26)
InChIKeyZRKFEUQNCBZWRV-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.25
Rot. Bonds4

About N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide

N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 59425200) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID59425200
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21
InChIInChI=1S/C21H19N3O2/c1-2-24-19-11-16(25)9-10-17(19)18(12-22)20(24)13-5-7-15(8-6-13)23-21(26)14-3-4-14/h5-11,14,25H,2-4H2,1H3,(H,23,26)
InChIKeyZRKFEUQNCBZWRV-UHFFFAOYSA-N
XLogP4.25
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamic acid;ethylcyclopropane
CID 143511119
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 59426164
1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 58694290
3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 71681406
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate
CID 59424943
[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate
CID 59430464
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide (CID 59425200) is N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide is CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is ZRKFEUQNCBZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-24-19-11-16(25)9-10-17(19)18(12-22)20(24)13-5-7-15(8-6-13)23-21(26)14-3-4-14/h5-11,14,25H,2-4H2,1H3,(H,23,26).
What are the key properties of N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide?
N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 59425200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).