N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

C21H19N3O — CID 5409743

IUPACN-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)c1
InChIInChI=1S/C21H19N3O/c1-12-8-9-13(2)18(10-12)24-21(25)19-11-16-15-6-4-5-7-17(15)23-20(16)14(3)22-19/h4-11,23H,1-3H3,(H,24,25)
InChIKeyWUQPIACXRPHRQP-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.89
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 5409743) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID5409743
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)c1
InChIInChI=1S/C21H19N3O/c1-12-8-9-13(2)18(10-12)24-21(25)19-11-16-15-6-4-5-7-17(15)23-20(16)14(3)22-19/h4-11,23H,1-3H3,(H,24,25)
InChIKeyWUQPIACXRPHRQP-UHFFFAOYSA-N
XLogP4.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 5409743) is N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is WUQPIACXRPHRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-12-8-9-13(2)18(10-12)24-21(25)19-11-16-15-6-4-5-7-17(15)23-20(16)14(3)22-19/h4-11,23H,1-3H3,(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 5409743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).