2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide

C24H19N3O2 — CID 70687961

IUPAC2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3nccc4c3[nH]c3ccccc34)cc2)c(C)o1
InChIInChI=1S/C24H19N3O2/c1-14-13-20(15(2)29-14)24(28)26-17-9-7-16(8-10-17)22-23-19(11-12-25-22)18-5-3-4-6-21(18)27-23/h3-13,27H,1-2H3,(H,26,28)
InChIKeyYAERLKZHOIQMBF-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.85
Rot. Bonds3

About 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide

2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide (PubChem CID 70687961) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide
PubChem CID70687961
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3nccc4c3[nH]c3ccccc34)cc2)c(C)o1
InChIInChI=1S/C24H19N3O2/c1-14-13-20(15(2)29-14)24(28)26-17-9-7-16(8-10-17)22-23-19(11-12-25-22)18-5-3-4-6-21(18)27-23/h3-13,27H,1-2H3,(H,26,28)
InChIKeyYAERLKZHOIQMBF-UHFFFAOYSA-N
XLogP5.85
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide (CID 70687961) is 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3nccc4c3[nH]c3ccccc34)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide?
The InChIKey is YAERLKZHOIQMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-14-13-20(15(2)29-14)24(28)26-17-9-7-16(8-10-17)22-23-19(11-12-25-22)18-5-3-4-6-21(18)27-23/h3-13,27H,1-2H3,(H,26,28).
What are the key properties of 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide?
2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 70687961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).