3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide

C24H25N3O — CID 143880553

IUPAC3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc(C)c3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C24H25N3O/c1-5-27(6-2)24(28)18-9-7-8-17(13-18)19-11-10-16(4)22-21(19)20-12-15(3)14-25-23(20)26-22/h7-14H,5-6H2,1-4H3,(H,25,26)
InChIKeyOXWDAKWEASDULW-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.48
Rot. Bonds4

About 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide

3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide (PubChem CID 143880553) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide
PubChem CID143880553
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc(C)c3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C24H25N3O/c1-5-27(6-2)24(28)18-9-7-8-17(13-18)19-11-10-16(4)22-21(19)20-12-15(3)14-25-23(20)26-22/h7-14H,5-6H2,1-4H3,(H,25,26)
InChIKeyOXWDAKWEASDULW-UHFFFAOYSA-N
XLogP5.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide?
The IUPAC name of 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide (CID 143880553) is 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide?
The canonical SMILES for 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(-c2ccc(C)c3[nH]c4ncc(C)cc4c23)c1.
What is the InChIKey of 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide?
The InChIKey is OXWDAKWEASDULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-5-27(6-2)24(28)18-9-7-8-17(13-18)19-11-10-16(4)22-21(19)20-12-15(3)14-25-23(20)26-22/h7-14H,5-6H2,1-4H3,(H,25,26).
What are the key properties of 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide?
3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide has a molecular weight of 371.48 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 143880553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).