N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide

C16H17N3O4 — CID 135060471

IUPACN,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESO=C(NCCO)c1c(=O)n(CCO)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H17N3O4/c20-7-5-17-15(22)13-14-11(9-19(6-8-21)16(13)23)10-3-1-2-4-12(10)18-14/h1-4,9,18,20-21H,5-8H2,(H,17,22)
InChIKeyAICLDBFAHLDRKF-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.20
Rot. Bonds5

About N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide

N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 135060471) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound NameN,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID135060471
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESO=C(NCCO)c1c(=O)n(CCO)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H17N3O4/c20-7-5-17-15(22)13-14-11(9-19(6-8-21)16(13)23)10-3-1-2-4-12(10)18-14/h1-4,9,18,20-21H,5-8H2,(H,17,22)
InChIKeyAICLDBFAHLDRKF-UHFFFAOYSA-N
XLogP0.20
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide (CID 135060471) is N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide is O=C(NCCO)c1c(=O)n(CCO)cc2c1[nH]c1ccccc12.
What is the InChIKey of N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is AICLDBFAHLDRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-7-5-17-15(22)13-14-11(9-19(6-8-21)16(13)23)10-3-1-2-4-12(10)18-14/h1-4,9,18,20-21H,5-8H2,(H,17,22).
What are the key properties of N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 135060471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).