N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

C21H24N4O2 — CID 155134999

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H24N4O2/c1-15-17(18-4-2-3-5-19(18)24-15)8-9-22-21(26)16-6-7-20(23-14-16)25-10-12-27-13-11-25/h2-7,14,24H,8-13H2,1H3,(H,22,26)
InChIKeySQFUOSXRVUYDSL-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 155134999) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID155134999
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H24N4O2/c1-15-17(18-4-2-3-5-19(18)24-15)8-9-22-21(26)16-6-7-20(23-14-16)25-10-12-27-13-11-25/h2-7,14,24H,8-13H2,1H3,(H,22,26)
InChIKeySQFUOSXRVUYDSL-UHFFFAOYSA-N
XLogP2.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 155134999) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is SQFUOSXRVUYDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-17(18-4-2-3-5-19(18)24-15)8-9-22-21(26)16-6-7-20(23-14-16)25-10-12-27-13-11-25/h2-7,14,24H,8-13H2,1H3,(H,22,26).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 155134999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).