5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide

C17H23ClN4O — CID 110497753

IUPAC5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NN2CCN(C)CC2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN4O/c1-4-22-15-6-5-13(18)11-14(15)12(2)16(22)17(23)19-21-9-7-20(3)8-10-21/h5-6,11H,4,7-10H2,1-3H3,(H,19,23)
InChIKeyMYWWWFUITQMEOJ-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.52
Rot. Bonds3

About 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide

5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide (PubChem CID 110497753) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
PubChem CID110497753
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NN2CCN(C)CC2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN4O/c1-4-22-15-6-5-13(18)11-14(15)12(2)16(22)17(23)19-21-9-7-20(3)8-10-21/h5-6,11H,4,7-10H2,1-3H3,(H,19,23)
InChIKeyMYWWWFUITQMEOJ-UHFFFAOYSA-N
XLogP2.52
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
5-chloro-N-(2-chloro-3-pyridinyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502209
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide (CID 110497753) is 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide is CCn1c(C(=O)NN2CCN(C)CC2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide?
The InChIKey is MYWWWFUITQMEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-4-22-15-6-5-13(18)11-14(15)12(2)16(22)17(23)19-21-9-7-20(3)8-10-21/h5-6,11H,4,7-10H2,1-3H3,(H,19,23).
What are the key properties of 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide?
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 110497753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).