N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide

C19H28N4O — CID 134127501

IUPACN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC1NNC(C)C1CCN(C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H28N4O/c1-13-16(14(2)22-21-13)10-11-23(3)19(24)9-8-15-12-20-18-7-5-4-6-17(15)18/h4-7,12-14,16,20-22H,8-11H2,1-3H3
InChIKeyCQBPEFGCWFWXLU-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide

N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 134127501) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID134127501
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC1NNC(C)C1CCN(C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H28N4O/c1-13-16(14(2)22-21-13)10-11-23(3)19(24)9-8-15-12-20-18-7-5-4-6-17(15)18/h4-7,12-14,16,20-22H,8-11H2,1-3H3
InChIKeyCQBPEFGCWFWXLU-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 134127501) is N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide is CC1NNC(C)C1CCN(C)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is CQBPEFGCWFWXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-16(14(2)22-21-13)10-11-23(3)19(24)9-8-15-12-20-18-7-5-4-6-17(15)18/h4-7,12-14,16,20-22H,8-11H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 328.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 134127501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).