1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C22H30N4O3 — CID 46277103

IUPAC1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCCN1CCOCC1)n2C
InChIInChI=1S/C22H30N4O3/c1-16-6-7-18-17(15-16)20(26-10-3-5-19(26)27)21(24(18)2)22(28)23-8-4-9-25-11-13-29-14-12-25/h6-7,15H,3-5,8-14H2,1-2H3,(H,23,28)
InChIKeySBHRBCVVRPSKHJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.07
Rot. Bonds6

About 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 46277103) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID46277103
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCCN1CCOCC1)n2C
InChIInChI=1S/C22H30N4O3/c1-16-6-7-18-17(15-16)20(26-10-3-5-19(26)27)21(24(18)2)22(28)23-8-4-9-25-11-13-29-14-12-25/h6-7,15H,3-5,8-14H2,1-2H3,(H,23,28)
InChIKeySBHRBCVVRPSKHJ-UHFFFAOYSA-N
XLogP2.07
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277095
N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277131
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-propylindole-2-carboxamide
CID 20915763
1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915958
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915765
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
CID 46277037
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915962
3-benzhydryl-5-chloro-1-(2-morpholin-4-ylethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]indole-2-carboxamide
CID 25073570
2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18872336

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 46277103) is 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCCN1CCOCC1)n2C.
What is the InChIKey of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is SBHRBCVVRPSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16-6-7-18-17(15-16)20(26-10-3-5-19(26)27)21(24(18)2)22(28)23-8-4-9-25-11-13-29-14-12-25/h6-7,15H,3-5,8-14H2,1-2H3,(H,23,28).
What are the key properties of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 46277103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).