4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C19H17N3O2 — CID 15952825

IUPAC4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4)cc3c21
InChIInChI=1S/C19H17N3O2/c1-11-10-20-19(24)17-16(11)14-9-12(7-8-15(14)22-17)18(23)21-13-5-3-2-4-6-13/h2-9,11,22H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyMCLIWBCBRKSYEZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.27
Rot. Bonds2

About 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15952825) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound Name4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15952825
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4)cc3c21
InChIInChI=1S/C19H17N3O2/c1-11-10-20-19(24)17-16(11)14-9-12(7-8-15(14)22-17)18(23)21-13-5-3-2-4-6-13/h2-9,11,22H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyMCLIWBCBRKSYEZ-UHFFFAOYSA-N
XLogP3.27
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
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 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15952825) is 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4)cc3c21.
What is the InChIKey of 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is MCLIWBCBRKSYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11-10-20-19(24)17-16(11)14-9-12(7-8-15(14)22-17)18(23)21-13-5-3-2-4-6-13/h2-9,11,22H,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-N-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15952825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).