7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide

C20H23N3O2 — CID 66667158

IUPAC7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide
SMILESCC(=O)c1ccc2c(C(=O)N(C)CCN(C)C)c3ccccc3n2c1
InChIInChI=1S/C20H23N3O2/c1-14(24)15-9-10-18-19(20(25)22(4)12-11-21(2)3)16-7-5-6-8-17(16)23(18)13-15/h5-10,13H,11-12H2,1-4H3
InChIKeyYWQLGWVTEZQTIF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.93
Rot. Bonds5

About 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide

7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide (PubChem CID 66667158) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide
PubChem CID66667158
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide
SMILESCC(=O)c1ccc2c(C(=O)N(C)CCN(C)C)c3ccccc3n2c1
InChIInChI=1S/C20H23N3O2/c1-14(24)15-9-10-18-19(20(25)22(4)12-11-21(2)3)16-7-5-6-8-17(16)23(18)13-15/h5-10,13H,11-12H2,1-4H3
InChIKeyYWQLGWVTEZQTIF-UHFFFAOYSA-N
XLogP2.93
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide?
The IUPAC name of 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide (CID 66667158) is 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide.
What is the SMILES notation for 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide?
The canonical SMILES for 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide is CC(=O)c1ccc2c(C(=O)N(C)CCN(C)C)c3ccccc3n2c1.
What is the InChIKey of 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide?
The InChIKey is YWQLGWVTEZQTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(24)15-9-10-18-19(20(25)22(4)12-11-21(2)3)16-7-5-6-8-17(16)23(18)13-15/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide?
7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide is sourced from PubChem (CID 66667158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).