N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide

C21H25N7O2 — CID 11486606

IUPACN-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C1NCC(CCNC(=O)c2cc3c(cn2)[nH]c2ccc(N4CCNCC4)cc23)N1
InChIInChI=1S/C21H25N7O2/c29-20(23-4-3-13-11-25-21(30)26-13)18-10-16-15-9-14(28-7-5-22-6-8-28)1-2-17(15)27-19(16)12-24-18/h1-2,9-10,12-13,22,27H,3-8,11H2,(H,23,29)(H2,25,26,30)
InChIKeyCACWRUHITJUFKZ-UHFFFAOYSA-N
MW407.48 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide

N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 11486606) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID11486606
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C1NCC(CCNC(=O)c2cc3c(cn2)[nH]c2ccc(N4CCNCC4)cc23)N1
InChIInChI=1S/C21H25N7O2/c29-20(23-4-3-13-11-25-21(30)26-13)18-10-16-15-9-14(28-7-5-22-6-8-28)1-2-17(15)27-19(16)12-24-18/h1-2,9-10,12-13,22,27H,3-8,11H2,(H,23,29)(H2,25,26,30)
InChIKeyCACWRUHITJUFKZ-UHFFFAOYSA-N
XLogP0.93
TPSA114.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 50.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 11486606) is N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide is O=C1NCC(CCNC(=O)c2cc3c(cn2)[nH]c2ccc(N4CCNCC4)cc23)N1.
What is the InChIKey of N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is CACWRUHITJUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c29-20(23-4-3-13-11-25-21(30)26-13)18-10-16-15-9-14(28-7-5-22-6-8-28)1-2-17(15)27-19(16)12-24-18/h1-2,9-10,12-13,22,27H,3-8,11H2,(H,23,29)(H2,25,26,30).
What are the key properties of N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 0.93, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 11486606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).