N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide

C16H21N3O2 — CID 52918080

IUPACN-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide
SMILESCOc1ccc2c3c(n(CCNC(C)=O)c2n1)CCCC3
InChIInChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20)
InChIKeyPHKIWNIEUVDHIM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide

N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide (PubChem CID 52918080) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide
PubChem CID52918080
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide
SMILESCOc1ccc2c3c(n(CCNC(C)=O)c2n1)CCCC3
InChIInChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20)
InChIKeyPHKIWNIEUVDHIM-UHFFFAOYSA-N
XLogP2.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide (CID 52918080) is N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide is COc1ccc2c3c(n(CCNC(C)=O)c2n1)CCCC3.
What is the InChIKey of N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide?
The InChIKey is PHKIWNIEUVDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide?
N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide is sourced from PubChem (CID 52918080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).