N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide

C23H24N4O2 — CID 57473388

IUPACN-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide
SMILESCC(=O)NC(C)C#CC1=CN(Nc2ccc(Oc3ccccc3)c(C)c2)C=CN1
InChIInChI=1S/C23H24N4O2/c1-17-15-20(11-12-23(17)29-22-7-5-4-6-8-22)26-27-14-13-24-21(16-27)10-9-18(2)25-19(3)28/h4-8,11-16,18,24,26H,1-3H3,(H,25,28)
InChIKeyOLELMAVDIQMYCI-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide

N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide (PubChem CID 57473388) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide
PubChem CID57473388
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide
SMILESCC(=O)NC(C)C#CC1=CN(Nc2ccc(Oc3ccccc3)c(C)c2)C=CN1
InChIInChI=1S/C23H24N4O2/c1-17-15-20(11-12-23(17)29-22-7-5-4-6-8-22)26-27-14-13-24-21(16-27)10-9-18(2)25-19(3)28/h4-8,11-16,18,24,26H,1-3H3,(H,25,28)
InChIKeyOLELMAVDIQMYCI-UHFFFAOYSA-N
XLogP3.86
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-4-phenoxyphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145954585
Acetamide, N-(5-amino-2-(octyloxy)benzyl)-
CID 201349
N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 67641582
5-[5-Amino-2-(2,4-difluorophenoxy)phenyl]-4-(ethylamino)-1-methylpyridin-2-one
CID 90027205
5-[5-Amino-2-(2,4-difluorophenoxy)phenyl]-4-(cyclopropylamino)-1-methylpyridin-2-one
CID 90027849
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-4-fluoro-3-methyl-1H-pyridin-2-one
CID 118025186
5-[5-Amino-2-(2,4-difluorophenoxy)phenyl]-1,4-dimethylpyridin-2-one
CID 134310770
5-[5-Amino-2-(4-fluoro-2-methylphenoxy)phenyl]-4-fluoro-1-methylpyridin-2-one
CID 134310813
3-[5-Ethynyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]-4-(4-fluoro-2-methylphenoxy)aniline
CID 134310984
5-[2-(2,4-Difluorophenoxy)-5-hydrazinylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 134311515
N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 67641583
N-[3-[5-amino-2-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide
CID 169511555

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide?
The IUPAC name of N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide (CID 57473388) is N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide?
The canonical SMILES for N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide is CC(=O)NC(C)C#CC1=CN(Nc2ccc(Oc3ccccc3)c(C)c2)C=CN1.
What is the InChIKey of N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide?
The InChIKey is OLELMAVDIQMYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-15-20(11-12-23(17)29-22-7-5-4-6-8-22)26-27-14-13-24-21(16-27)10-9-18(2)25-19(3)28/h4-8,11-16,18,24,26H,1-3H3,(H,25,28).
What are the key properties of N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide?
N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methyl-4-phenoxyanilino)-1H-pyrazin-2-yl]but-3-yn-2-yl]acetamide is sourced from PubChem (CID 57473388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).