6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C18H24ClN5O2 — CID 42570314

IUPAC6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCN(C)CCNC(=O)CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C18H24ClN5O2/c1-23(2)8-6-20-17(25)10-21-18(26)24-7-5-13-14-9-12(19)3-4-15(14)22-16(13)11-24/h3-4,9,22H,5-8,10-11H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyPPPQPWILLMVWSV-UHFFFAOYSA-N
MW377.88 g/mol
LogP1.57
Rot. Bonds5

About 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 42570314) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID42570314
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCN(C)CCNC(=O)CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C18H24ClN5O2/c1-23(2)8-6-20-17(25)10-21-18(26)24-7-5-13-14-9-12(19)3-4-15(14)22-16(13)11-24/h3-4,9,22H,5-8,10-11H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyPPPQPWILLMVWSV-UHFFFAOYSA-N
XLogP1.57
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 42570314) is 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is CN(C)CCNC(=O)CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1.
What is the InChIKey of 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is PPPQPWILLMVWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-23(2)8-6-20-17(25)10-21-18(26)24-7-5-13-14-9-12(19)3-4-15(14)22-16(13)11-24/h3-4,9,22H,5-8,10-11H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 42570314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).