N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide

C23H24N4O — CID 111263143

IUPACN-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide
SMILESC#Cc1cccc(NC(=O)CN/C(=N\C)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O/c1-3-18-8-7-11-21(16-18)26-22(28)17-25-23(24-2)27-14-12-20(13-15-27)19-9-5-4-6-10-19/h1,4-12,16H,13-15,17H2,2H3,(H,24,25)(H,26,28)
InChIKeyZPRXSVRZBMIREC-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.97
Rot. Bonds4

About N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide

N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide (PubChem CID 111263143) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide
PubChem CID111263143
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide
SMILESC#Cc1cccc(NC(=O)CN/C(=N\C)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O/c1-3-18-8-7-11-21(16-18)26-22(28)17-25-23(24-2)27-14-12-20(13-15-27)19-9-5-4-6-10-19/h1,4-12,16H,13-15,17H2,2H3,(H,24,25)(H,26,28)
InChIKeyZPRXSVRZBMIREC-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 119131233
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 109485064
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CID 111263224
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CID 119131285
N-(3-ethynylphenyl)-2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]acetamide
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N-(3-ethynylphenyl)-2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]acetamide
CID 110948702
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
N-(3-ethynylphenyl)-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]acetamide
CID 111342471
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-(3-ethynylphenyl)acetamide
CID 110990859
N-ethyl-3-[[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]methyl]benzamide
CID 111263131

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide?
The IUPAC name of N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide (CID 111263143) is N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide is C#Cc1cccc(NC(=O)CN/C(=N\C)N2CC=C(c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide?
The InChIKey is ZPRXSVRZBMIREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-18-8-7-11-21(16-18)26-22(28)17-25-23(24-2)27-14-12-20(13-15-27)19-9-5-4-6-10-19/h1,4-12,16H,13-15,17H2,2H3,(H,24,25)(H,26,28).
What are the key properties of N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide?
N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide is sourced from PubChem (CID 111263143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).