N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide

C26H23N7O3 — CID 66991268

IUPACN-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCn1cncc1Cn1cccc(C(=O)NC/C=C/c2ccc3c(c2)NC(=O)C3=Cc2cnc[nH]2)c1=O
InChIInChI=1S/C26H23N7O3/c1-32-16-28-13-19(32)14-33-9-3-5-21(26(33)36)24(34)29-8-2-4-17-6-7-20-22(11-18-12-27-15-30-18)25(35)31-23(20)10-17/h2-7,9-13,15-16H,8,14H2,1H3,(H,27,30)(H,29,34)(H,31,35)/b4-2+,22-11?
InChIKeyZOAGAFQIJXXJMM-KBJURDJBSA-N
MW481.52 g/mol
LogP2.29
Rot. Bonds7

About N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide

N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 66991268) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID66991268
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC NameN-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCn1cncc1Cn1cccc(C(=O)NC/C=C/c2ccc3c(c2)NC(=O)C3=Cc2cnc[nH]2)c1=O
InChIInChI=1S/C26H23N7O3/c1-32-16-28-13-19(32)14-33-9-3-5-21(26(33)36)24(34)29-8-2-4-17-6-7-20-22(11-18-12-27-15-30-18)25(35)31-23(20)10-17/h2-7,9-13,15-16H,8,14H2,1H3,(H,27,30)(H,29,34)(H,31,35)/b4-2+,22-11?
InChIKeyZOAGAFQIJXXJMM-KBJURDJBSA-N
XLogP2.29
TPSA126.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide (CID 66991268) is N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide is Cn1cncc1Cn1cccc(C(=O)NC/C=C/c2ccc3c(c2)NC(=O)C3=Cc2cnc[nH]2)c1=O.
What is the InChIKey of N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZOAGAFQIJXXJMM-KBJURDJBSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-32-16-28-13-19(32)14-33-9-3-5-21(26(33)36)24(34)29-8-2-4-17-6-7-20-22(11-18-12-27-15-30-18)25(35)31-23(20)10-17/h2-7,9-13,15-16H,8,14H2,1H3,(H,27,30)(H,29,34)(H,31,35)/b4-2+,22-11?.
What are the key properties of N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-1-[(3-methylimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 66991268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).