1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide

C28H29N5O3 — CID 44629007

IUPAC1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide
SMILESO=C1Nc2cc(/C=C/CNC(=O)c3cccn(CC4CCCCC4)c3=O)ccc2/C1=C\c1cnc[nH]1
InChIInChI=1S/C28H29N5O3/c34-26(23-9-5-13-33(28(23)36)17-20-6-2-1-3-7-20)30-12-4-8-19-10-11-22-24(15-21-16-29-18-31-21)27(35)32-25(22)14-19/h4-5,8-11,13-16,18,20H,1-3,6-7,12,17H2,(H,29,31)(H,30,34)(H,32,35)/b8-4+,24-15+
InChIKeyRDQBGWGCSJAATN-WWAWLHJKSA-N
MW483.57 g/mol
LogP4.09
Rot. Bonds7

About 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide (PubChem CID 44629007) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide
PubChem CID44629007
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide
SMILESO=C1Nc2cc(/C=C/CNC(=O)c3cccn(CC4CCCCC4)c3=O)ccc2/C1=C\c1cnc[nH]1
InChIInChI=1S/C28H29N5O3/c34-26(23-9-5-13-33(28(23)36)17-20-6-2-1-3-7-20)30-12-4-8-19-10-11-22-24(15-21-16-29-18-31-21)27(35)32-25(22)14-19/h4-5,8-11,13-16,18,20H,1-3,6-7,12,17H2,(H,29,31)(H,30,34)(H,32,35)/b8-4+,24-15+
InChIKeyRDQBGWGCSJAATN-WWAWLHJKSA-N
XLogP4.09
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-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 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide (CID 44629007) is 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide is O=C1Nc2cc(/C=C/CNC(=O)c3cccn(CC4CCCCC4)c3=O)ccc2/C1=C\c1cnc[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide?
The InChIKey is RDQBGWGCSJAATN-WWAWLHJKSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-26(23-9-5-13-33(28(23)36)17-20-6-2-1-3-7-20)30-12-4-8-19-10-11-22-24(15-21-16-29-18-31-21)27(35)32-25(22)14-19/h4-5,8-11,13-16,18,20H,1-3,6-7,12,17H2,(H,29,31)(H,30,34)(H,32,35)/b8-4+,24-15+.
What are the key properties of 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(E)-3-[(3E)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 44629007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).