7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide

C20H21N3O2 — CID 166626845

IUPAC7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c12
InChIInChI=1S/C20H21N3O2/c1-14-4-2-5-15-12-18(22-19(14)15)20(24)21-16-6-3-7-17(13-16)23-8-10-25-11-9-23/h2-7,12-13,22H,8-11H2,1H3,(H,21,24)
InChIKeyIVINCTWHMHHDDK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.57
Rot. Bonds3

About 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide

7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide (PubChem CID 166626845) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
PubChem CID166626845
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c12
InChIInChI=1S/C20H21N3O2/c1-14-4-2-5-15-12-18(22-19(14)15)20(24)21-16-6-3-7-17(13-16)23-8-10-25-11-9-23/h2-7,12-13,22H,8-11H2,1H3,(H,21,24)
InChIKeyIVINCTWHMHHDDK-UHFFFAOYSA-N
XLogP3.57
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide (CID 166626845) is 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide is Cc1cccc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c12.
What is the InChIKey of 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The InChIKey is IVINCTWHMHHDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-4-2-5-15-12-18(22-19(14)15)20(24)21-16-6-3-7-17(13-16)23-8-10-25-11-9-23/h2-7,12-13,22H,8-11H2,1H3,(H,21,24).
What are the key properties of 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 166626845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).