2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide

C21H31N3O2 — CID 46540916

IUPAC2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCC(CC(C)C)N3CCOCC3)cc2c1C
InChIInChI=1S/C21H31N3O2/c1-14(2)11-18(24-7-9-26-10-8-24)13-22-21(25)17-5-6-20-19(12-17)15(3)16(4)23-20/h5-6,12,14,18,23H,7-11,13H2,1-4H3,(H,22,25)
InChIKeyMUEMFFRBTGNMNB-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.26
Rot. Bonds6

About 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide (PubChem CID 46540916) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
PubChem CID46540916
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCC(CC(C)C)N3CCOCC3)cc2c1C
InChIInChI=1S/C21H31N3O2/c1-14(2)11-18(24-7-9-26-10-8-24)13-22-21(25)17-5-6-20-19(12-17)15(3)16(4)23-20/h5-6,12,14,18,23H,7-11,13H2,1-4H3,(H,22,25)
InChIKeyMUEMFFRBTGNMNB-UHFFFAOYSA-N
XLogP3.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24633688
3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
CID 30470681
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-1H-quinoline-4-carboxamide
CID 134027047
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278
N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 30751721
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrazole-4-carboxamide
CID 60786494
5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 46557915
2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide
CID 71936714
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
CID 18157774

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide (CID 46540916) is 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCC(CC(C)C)N3CCOCC3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide?
The InChIKey is MUEMFFRBTGNMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(2)11-18(24-7-9-26-10-8-24)13-22-21(25)17-5-6-20-19(12-17)15(3)16(4)23-20/h5-6,12,14,18,23H,7-11,13H2,1-4H3,(H,22,25).
What are the key properties of 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 46540916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).