N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide

C19H19N3O2 — CID 50899051

IUPACN-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4ccccc42)CCNC3)cc1
InChIInChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-9-10-20-11-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)
InChIKeyPFWXMUCRDDIYGQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds3

About N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide

N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide (PubChem CID 50899051) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
PubChem CID50899051
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4ccccc42)CCNC3)cc1
InChIInChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-9-10-20-11-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)
InChIKeyPFWXMUCRDDIYGQ-UHFFFAOYSA-N
XLogP2.45
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide 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-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide?
The IUPAC name of N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide (CID 50899051) is N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide is O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CCNC3)cc1.
What is the InChIKey of N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide?
The InChIKey is PFWXMUCRDDIYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-9-10-20-11-18(16)22/h1-8,20,24H,9-12H2,(H,21,23).
What are the key properties of N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide?
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide is sourced from PubChem (CID 50899051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).