N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide

C21H20N4O3 — CID 15951772

IUPACN-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
SMILESCC1(C)CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21
InChIInChI=1S/C21H20N4O3/c1-21(2)10-23-20(28)17-16(21)14-9-12(5-8-15(14)25-17)19(27)24-13-6-3-11(4-7-13)18(22)26/h3-9,25H,10H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyQMNQPIQPGIXCCT-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.54
Rot. Bonds3

About N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide

N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951772) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
PubChem CID15951772
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
SMILESCC1(C)CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21
InChIInChI=1S/C21H20N4O3/c1-21(2)10-23-20(28)17-16(21)14-9-12(5-8-15(14)25-17)19(27)24-13-6-3-11(4-7-13)18(22)26/h3-9,25H,10H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyQMNQPIQPGIXCCT-UHFFFAOYSA-N
XLogP2.54
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide (CID 15951772) is N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide is CC1(C)CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21.
What is the InChIKey of N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
The InChIKey is QMNQPIQPGIXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-21(2)10-23-20(28)17-16(21)14-9-12(5-8-15(14)25-17)19(27)24-13-6-3-11(4-7-13)18(22)26/h3-9,25H,10H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27).
What are the key properties of N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).