9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide

C23H23N3O2 — CID 121363748

IUPAC9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide
SMILESCCn1c2cnccc2c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc21
InChIInChI=1S/C23H23N3O2/c1-4-26-21-13-17(8-9-19(21)20-10-11-24-14-22(20)26)23(27)25-15(2)16-6-5-7-18(12-16)28-3/h5-15H,4H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyKHDTWGHINMBUJH-OAHLLOKOSA-N
MW373.46 g/mol
LogP4.71
Rot. Bonds5

About 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide

9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide (PubChem CID 121363748) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide.

Molecular Properties

Compound Name9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide
PubChem CID121363748
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide
SMILESCCn1c2cnccc2c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc21
InChIInChI=1S/C23H23N3O2/c1-4-26-21-13-17(8-9-19(21)20-10-11-24-14-22(20)26)23(27)25-15(2)16-6-5-7-18(12-16)28-3/h5-15H,4H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyKHDTWGHINMBUJH-OAHLLOKOSA-N
XLogP4.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide?
The IUPAC name of 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide (CID 121363748) is 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide.
What is the SMILES notation for 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide?
The canonical SMILES for 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide is CCn1c2cnccc2c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc21.
What is the InChIKey of 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide?
The InChIKey is KHDTWGHINMBUJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-4-26-21-13-17(8-9-19(21)20-10-11-24-14-22(20)26)23(27)25-15(2)16-6-5-7-18(12-16)28-3/h5-15H,4H2,1-3H3,(H,25,27)/t15-/m1/s1.
What are the key properties of 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide?
9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide is sourced from PubChem (CID 121363748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).