N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

C24H24N6O2 — CID 158110780

IUPACN-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILES[C-]#[N+]c1cc(CC)nc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)c1
InChIInChI=1S/C24H24N6O2/c1-3-18-13-19(25-2)14-21(28-18)17-12-22(24(32)27-15-17)29-23(31)16-4-6-20(7-5-16)30-10-8-26-9-11-30/h4-7,12-15,26H,3,8-11H2,1H3,(H,27,32)(H,29,31)
InChIKeyFQKDYJAOIQUQPG-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.21
Rot. Bonds5

About N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (PubChem CID 158110780) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
PubChem CID158110780
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILES[C-]#[N+]c1cc(CC)nc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)c1
InChIInChI=1S/C24H24N6O2/c1-3-18-13-19(25-2)14-21(28-18)17-12-22(24(32)27-15-17)29-23(31)16-4-6-20(7-5-16)30-10-8-26-9-11-30/h4-7,12-15,26H,3,8-11H2,1H3,(H,27,32)(H,29,31)
InChIKeyFQKDYJAOIQUQPG-UHFFFAOYSA-N
XLogP3.21
TPSA94.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158694746
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
N-[5-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 58692578
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide
CID 159039079
N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261253
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261371
N-[5-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261390
N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 58692637
N-[5-(4-cyano-1,2-dihydropyridin-6-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261409
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692546

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (CID 158110780) is N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is [C-]#[N+]c1cc(CC)nc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)c1.
What is the InChIKey of N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The InChIKey is FQKDYJAOIQUQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-3-18-13-19(25-2)14-21(28-18)17-12-22(24(32)27-15-17)29-23(31)16-4-6-20(7-5-16)30-10-8-26-9-11-30/h4-7,12-15,26H,3,8-11H2,1H3,(H,27,32)(H,29,31).
What are the key properties of N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 428.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 158110780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).