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

C19H16ClN3O2 — CID 15951577

IUPACN-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Cl)c4)cc3c21
InChIInChI=1S/C19H16ClN3O2/c1-10-9-21-19(25)17-16(10)14-7-11(5-6-15(14)23-17)18(24)22-13-4-2-3-12(20)8-13/h2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeySFNYYJNUCUHONX-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.92
Rot. Bonds2

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

N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951577) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15951577
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Cl)c4)cc3c21
InChIInChI=1S/C19H16ClN3O2/c1-10-9-21-19(25)17-16(10)14-7-11(5-6-15(14)23-17)18(24)22-13-4-2-3-12(20)8-13/h2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeySFNYYJNUCUHONX-UHFFFAOYSA-N
XLogP3.92
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.92
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 N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951577) is N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Cl)c4)cc3c21.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is SFNYYJNUCUHONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-10-9-21-19(25)17-16(10)14-7-11(5-6-15(14)23-17)18(24)22-13-4-2-3-12(20)8-13/h2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).