N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide

C14H15N3O2 — CID 118548633

IUPACN-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide
SMILESCC(=O)NCn1c2c(c3ccccc31)C(=O)NCC2
InChIInChI=1S/C14H15N3O2/c1-9(18)16-8-17-11-5-3-2-4-10(11)13-12(17)6-7-15-14(13)19/h2-5H,6-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyBYNJAUVLXXSZRX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.02
Rot. Bonds2

About N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide

N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide (PubChem CID 118548633) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide
PubChem CID118548633
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide
SMILESCC(=O)NCn1c2c(c3ccccc31)C(=O)NCC2
InChIInChI=1S/C14H15N3O2/c1-9(18)16-8-17-11-5-3-2-4-10(11)13-12(17)6-7-15-14(13)19/h2-5H,6-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyBYNJAUVLXXSZRX-UHFFFAOYSA-N
XLogP1.02
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide 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-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide?
The IUPAC name of N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide (CID 118548633) is N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide is CC(=O)NCn1c2c(c3ccccc31)C(=O)NCC2.
What is the InChIKey of N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide?
The InChIKey is BYNJAUVLXXSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(18)16-8-17-11-5-3-2-4-10(11)13-12(17)6-7-15-14(13)19/h2-5H,6-8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide?
N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide is sourced from PubChem (CID 118548633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).