N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C19H19N3O2 — CID 3763551

IUPACN-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-14-8-6-13(7-9-14)20-19(23)22-11-10-16-15-4-2-3-5-17(15)21-18(16)12-22/h2-9,21H,10-12H2,1H3,(H,20,23)
InChIKeyNWDOKCLMGXQUSA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.77
Rot. Bonds2

About N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 3763551) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID3763551
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-14-8-6-13(7-9-14)20-19(23)22-11-10-16-15-4-2-3-5-17(15)21-18(16)12-22/h2-9,21H,10-12H2,1H3,(H,20,23)
InChIKeyNWDOKCLMGXQUSA-UHFFFAOYSA-N
XLogP3.77
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 3763551) is N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is COc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is NWDOKCLMGXQUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-14-8-6-13(7-9-14)20-19(23)22-11-10-16-15-4-2-3-5-17(15)21-18(16)12-22/h2-9,21H,10-12H2,1H3,(H,20,23).
What are the key properties of N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 3763551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).