N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C23H26N8O — CID 155446122

IUPACN-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESC=N/C=C\N=C(/C)c1ccc(NC(=O)Cn2ccc3c(N4CCNCC4)ccnc32)nc1
InChIInChI=1S/C23H26N8O/c1-17(26-9-8-24-2)18-3-4-21(28-15-18)29-22(32)16-31-12-6-19-20(5-7-27-23(19)31)30-13-10-25-11-14-30/h3-9,12,15,25H,2,10-11,13-14,16H2,1H3,(H,28,29,32)/b9-8-,26-17+
InChIKeyFEKBHJKEPDBJFB-DPUULHPVSA-N
MW430.52 g/mol
LogP2.46
Rot. Bonds7

About N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 155446122) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID155446122
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC NameN-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESC=N/C=C\N=C(/C)c1ccc(NC(=O)Cn2ccc3c(N4CCNCC4)ccnc32)nc1
InChIInChI=1S/C23H26N8O/c1-17(26-9-8-24-2)18-3-4-21(28-15-18)29-22(32)16-31-12-6-19-20(5-7-27-23(19)31)30-13-10-25-11-14-30/h3-9,12,15,25H,2,10-11,13-14,16H2,1H3,(H,28,29,32)/b9-8-,26-17+
InChIKeyFEKBHJKEPDBJFB-DPUULHPVSA-N
XLogP2.46
TPSA99.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide with MolForge

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Related Compounds

N-(5-piperazin-1-yl-2-pyridinyl)-2-pyrazol-1-ylacetamide
CID 119494481
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-oxoacetamide
CID 155280244
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide
CID 119494267
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119494266
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
N-hydroxy-4-[[4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 118148330
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
3-(4-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)propanamide
CID 119494095
N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260350
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
methyl 4-[[4-[4-(piperazin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate;hydrochloride
CID 122584751

Frequently Asked Questions

What is the IUPAC name of N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 155446122) is N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is C=N/C=C\N=C(/C)c1ccc(NC(=O)Cn2ccc3c(N4CCNCC4)ccnc32)nc1.
What is the InChIKey of N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is FEKBHJKEPDBJFB-DPUULHPVSA-N. The full InChI is InChI=1S/C23H26N8O/c1-17(26-9-8-24-2)18-3-4-21(28-15-18)29-22(32)16-31-12-6-19-20(5-7-27-23(19)31)30-13-10-25-11-14-30/h3-9,12,15,25H,2,10-11,13-14,16H2,1H3,(H,28,29,32)/b9-8-,26-17+.
What are the key properties of N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 430.52 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 155446122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).