3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide

C19H23N3O2 — CID 143544307

IUPAC3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide
SMILESC/C=C\C(N)=C/C=C(\C)Cc1cn(C)c2ccc(C(=O)NO)cc12
InChIInChI=1S/C19H23N3O2/c1-4-5-16(20)8-6-13(2)10-15-12-22(3)18-9-7-14(11-17(15)18)19(23)21-24/h4-9,11-12,24H,10,20H2,1-3H3,(H,21,23)/b5-4-,13-6+,16-8+
InChIKeyJGQUPTNVYPNNPI-KDNSRYCVSA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds5

About 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide

3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide (PubChem CID 143544307) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide.

Molecular Properties

Compound Name3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide
PubChem CID143544307
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide
SMILESC/C=C\C(N)=C/C=C(\C)Cc1cn(C)c2ccc(C(=O)NO)cc12
InChIInChI=1S/C19H23N3O2/c1-4-5-16(20)8-6-13(2)10-15-12-22(3)18-9-7-14(11-17(15)18)19(23)21-24/h4-9,11-12,24H,10,20H2,1-3H3,(H,21,23)/b5-4-,13-6+,16-8+
InChIKeyJGQUPTNVYPNNPI-KDNSRYCVSA-N
XLogP3.20
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-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 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide?
The IUPAC name of 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide (CID 143544307) is 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide.
What is the SMILES notation for 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide?
The canonical SMILES for 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide is C/C=C\C(N)=C/C=C(\C)Cc1cn(C)c2ccc(C(=O)NO)cc12.
What is the InChIKey of 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide?
The InChIKey is JGQUPTNVYPNNPI-KDNSRYCVSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-5-16(20)8-6-13(2)10-15-12-22(3)18-9-7-14(11-17(15)18)19(23)21-24/h4-9,11-12,24H,10,20H2,1-3H3,(H,21,23)/b5-4-,13-6+,16-8+.
What are the key properties of 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide?
3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E,6Z)-5-amino-2-methylocta-2,4,6-trienyl]-N-hydroxy-1-methylindole-5-carboxamide is sourced from PubChem (CID 143544307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).