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

C20H18N4O3 — CID 15951768

IUPACN-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21
InChIInChI=1S/C20H18N4O3/c1-10-9-22-20(27)17-16(10)14-8-12(4-7-15(14)24-17)19(26)23-13-5-2-11(3-6-13)18(21)25/h2-8,10,24H,9H2,1H3,(H2,21,25)(H,22,27)(H,23,26)
InChIKeyNDMYAICTRHCZJH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.37
Rot. Bonds3

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

N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951768) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15951768
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21
InChIInChI=1S/C20H18N4O3/c1-10-9-22-20(27)17-16(10)14-8-12(4-7-15(14)24-17)19(26)23-13-5-2-11(3-6-13)18(21)25/h2-8,10,24H,9H2,1H3,(H2,21,25)(H,22,27)(H,23,26)
InChIKeyNDMYAICTRHCZJH-UHFFFAOYSA-N
XLogP2.37
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951768) is N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21.
What is the InChIKey of N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is NDMYAICTRHCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-10-9-22-20(27)17-16(10)14-8-12(4-7-15(14)24-17)19(26)23-13-5-2-11(3-6-13)18(21)25/h2-8,10,24H,9H2,1H3,(H2,21,25)(H,22,27)(H,23,26).
What are the key properties of N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).