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

C23H21N3O2 — CID 156580846

IUPAC1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(=O)NCCc2ccccc2)cc2c3ccccc3n(C)c12
InChIInChI=1S/C23H21N3O2/c1-15(27)21-22-18(17-10-6-7-11-20(17)26(22)2)14-19(25-21)23(28)24-13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,28)
InChIKeyIXLQKNHMXNZJEX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.90
Rot. Bonds5

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

1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide (PubChem CID 156580846) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide
PubChem CID156580846
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(=O)NCCc2ccccc2)cc2c3ccccc3n(C)c12
InChIInChI=1S/C23H21N3O2/c1-15(27)21-22-18(17-10-6-7-11-20(17)26(22)2)14-19(25-21)23(28)24-13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,28)
InChIKeyIXLQKNHMXNZJEX-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide (CID 156580846) is 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide is CC(=O)c1nc(C(=O)NCCc2ccccc2)cc2c3ccccc3n(C)c12.
What is the InChIKey of 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is IXLQKNHMXNZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15(27)21-22-18(17-10-6-7-11-20(17)26(22)2)14-19(25-21)23(28)24-13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,28).
What are the key properties of 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide?
1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-9-methyl-N-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 156580846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).