N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide

C22H30N4O2 — CID 15988773

IUPACN-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C22H30N4O2/c1-5-7-13-26(6-2)14-12-23-21(27)17-15-24(3)22(28)20-19(17)16-10-8-9-11-18(16)25(20)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,23,27)
InChIKeyAATZSEQULIIDGK-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.88
Rot. Bonds8

About N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide

N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 15988773) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID15988773
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C22H30N4O2/c1-5-7-13-26(6-2)14-12-23-21(27)17-15-24(3)22(28)20-19(17)16-10-8-9-11-18(16)25(20)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,23,27)
InChIKeyAATZSEQULIIDGK-UHFFFAOYSA-N
XLogP2.88
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 15988773) is N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide is CCCCN(CC)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is AATZSEQULIIDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-7-13-26(6-2)14-12-23-21(27)17-15-24(3)22(28)20-19(17)16-10-8-9-11-18(16)25(20)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,23,27).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 15988773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).