1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C22H19N3O2 — CID 56601461

IUPAC1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C22H19N3O2/c1-14(26)20-21-17(16-9-5-6-10-18(16)24-21)13-19(25-20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,13,24H,11-12H2,1H3,(H,23,27)
InChIKeyQPUYCBSQXKSFOO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.89
Rot. Bonds5

About 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 56601461) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID56601461
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C22H19N3O2/c1-14(26)20-21-17(16-9-5-6-10-18(16)24-21)13-19(25-20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,13,24H,11-12H2,1H3,(H,23,27)
InChIKeyQPUYCBSQXKSFOO-UHFFFAOYSA-N
XLogP3.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 56601461) is 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is CC(=O)c1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is QPUYCBSQXKSFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14(26)20-21-17(16-9-5-6-10-18(16)24-21)13-19(25-20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,13,24H,11-12H2,1H3,(H,23,27).
What are the key properties of 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 56601461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).