2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide

C20H21N3O2 — CID 110695108

IUPAC2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc2[nH]1
InChIInChI=1S/C20H21N3O2/c1-14-12-16-13-15(6-7-17(16)21-14)20(24)22-18-4-2-3-5-19(18)23-8-10-25-11-9-23/h2-7,12-13,21H,8-11H2,1H3,(H,22,24)
InChIKeyIFFVFLGQEZZFFB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.57
Rot. Bonds3

About 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide

2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide (PubChem CID 110695108) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
PubChem CID110695108
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc2[nH]1
InChIInChI=1S/C20H21N3O2/c1-14-12-16-13-15(6-7-17(16)21-14)20(24)22-18-4-2-3-5-19(18)23-8-10-25-11-9-23/h2-7,12-13,21H,8-11H2,1H3,(H,22,24)
InChIKeyIFFVFLGQEZZFFB-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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Related Compounds

3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
5-chloro-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113207247
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784537
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 17438048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide (CID 110695108) is 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide is Cc1cc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc2[nH]1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide?
The InChIKey is IFFVFLGQEZZFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-12-16-13-15(6-7-17(16)21-14)20(24)22-18-4-2-3-5-19(18)23-8-10-25-11-9-23/h2-7,12-13,21H,8-11H2,1H3,(H,22,24).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide?
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-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 2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 110695108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).